1.0 2020-02-10 19:45:45 UTC 2020-04-22 15:54:39 UTC BMDB0063675 BMDB63675 Benzoin 2-Hydroxy-1,2-diphenylethanone 2-Hydroxy-2-phenylacetophenone alpha-Hydroxy-alpha-phenylacetophenone alpha-Hydroxybenzyl phenyl ketone Benzoylphenylcarbinol Hydroxy-2-phenyl acetophenone PHCH(OH)COPH PHCOCH(OH)PH Phenyl-alpha-hydroxybenzyl ketone Phenylbenzoyl carbinol Benzoin tincture a-Hydroxy-a-phenylacetophenone Α-hydroxy-α-phenylacetophenone a-Hydroxybenzyl phenyl ketone Α-hydroxybenzyl phenyl ketone Phenyl-a-hydroxybenzyl ketone Phenyl-α-hydroxybenzyl ketone (+-)-Benzoin (RS)-Benzoin 2-Hydroxy-1,2-diphenylethanone, 9ci 2-Hydroxy-2-phenyl-acetophenone alpha -Hydroxy-alpha -phenylacetophenone alpha -Hydroxybenzyl phenyl ketone alpha-Hydroxy-a-phenylacetophenone DL-Benzoin FEMA 2132 Phenyl-alpha -hydroxybenzyl ketone 2 Hydroxy 1,2 diphenylethanone C14H12O2 212.2439 212.083729628 2-hydroxy-1,2-diphenylethan-1-one (+-)-benzoin 119-53-9 OC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1 InChI=1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H ISAOCJYIOMOJEB-UHFFFAOYSA-N belongs to the class of organic compounds known as benzoins. These are organic compounds containing a 1,2-hydroxy ketone attached to two phenyl groups. Organic compounds Phenylpropanoids and polyketides Stilbenes Benzoins Benzoins Acyloins Alkyl-phenylketones Alpha-hydroxy ketones Aromatic alcohols Aryl alkyl ketones Benzoyl derivatives Hydrocarbon derivatives Organic oxides Secondary alcohols Acyloin Alcohol Alkyl-phenylketone Alpha-hydroxy ketone Aromatic alcohol Aromatic homomonocyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzoin Benzoyl Hydrocarbon derivative Ketone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenylketone Secondary alcohol Aromatic homomonocyclic compounds benzoin benzoins logp 2.64 ALOGPS logs -2.58 ALOGPS logp 2.65 ChemAxon pka_strongest_acidic 12.62 ChemAxon pka_strongest_basic -3.8 ChemAxon iupac 2-hydroxy-1,2-diphenylethan-1-one ChemAxon average_mass 212.2439 ChemAxon mono_mass 212.083729628 ChemAxon smiles OC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1 ChemAxon formula C14H12O2 ChemAxon inchi InChI=1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H ChemAxon inchikey ISAOCJYIOMOJEB-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 62.52 ChemAxon polarizability 22.45 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::EiMs 674 Specdb::MsMs 65859 Specdb::MsMs 65860 Specdb::MsMs 65861 Specdb::MsMs 123306 Specdb::MsMs 123307 Specdb::MsMs 123308 Specdb::MsMs 449675 Specdb::MsMs 449676 Specdb::MsMs 2783482 Specdb::MsMs 2783483 Specdb::MsMs 2783484 Specdb::MsMs 2921953 Specdb::MsMs 2921954 Specdb::MsMs 2921955 Specdb::NmrOneD 267868 Specdb::NmrOneD 267869 Specdb::NmrOneD 267870 Specdb::NmrOneD 267871 Specdb::NmrOneD 267872 Specdb::NmrOneD 267873 Specdb::NmrOneD 267874 Specdb::NmrOneD 267875 Specdb::NmrOneD 267876 Specdb::NmrOneD 267877 Specdb::NmrOneD 267878 Specdb::NmrOneD 267879 Specdb::NmrOneD 267880 Specdb::NmrOneD 267881 Specdb::NmrOneD 267882 Specdb::NmrOneD 267883 Specdb::NmrOneD 267884 Specdb::NmrOneD 267885 Specdb::NmrOneD 267886 Specdb::NmrOneD 267887 Specdb::CMs 2512 Specdb::CMs 28822 Specdb::CMs 29592 Specdb::CMs 31759 Specdb::CMs 31760 Specdb::CMs 42723 Specdb::CMs 101007 Specdb::CMs 101008 Specdb::CMs 101009 Specdb::CMs 101010 Specdb::CMs 159244 Urine Samples collected from 16 multiparous Holstein cows Sun HZ, Wang DM, Wang B, Wang JK, Liu HY, Guan le L, Liu JX: Metabolomics of four biofluids from dairy cows: potential biomarkers for milk production and quality. J Proteome Res. 2015 Feb 6;14(2):1287-98. doi: 10.1021/pr501305g. Epub 2015 Jan 28. 25599412 FDB012830 8093 8400 C00000640 17682 C01408 Benzoin