1.0 2020-03-10 17:01:16 UTC 2020-04-22 18:56:05 UTC BMDB0096104 BMDB96104 2,4-Di-tert-butylphenol 2-Allyl-4-(1,1-dimethylpropyl)-phenol 4-(1,1-Dimethylpropyl)-2-(2-propen-1-yl)-phenol C14H20O 204.308 204.151415262 4-(2-methylbutan-2-yl)-2-(prop-2-en-1-yl)phenol 4-(2-methylbutan-2-yl)-2-(prop-2-en-1-yl)phenol 96-76-4 [H]OC1=C(C([H])=C(C([H])=C1[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])=C([H])[H] InChI=1S/C14H20O/c1-5-7-11-10-12(8-9-13(11)15)14(3,4)6-2/h5,8-10,15H,1,6-7H2,2-4H3 DFAHCHKNTOVDQQ-UHFFFAOYSA-N belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety. Organic compounds Benzenoids Benzene and substituted derivatives Phenylpropanes Phenylpropanes 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives Organooxygen compounds 1-hydroxy-2-unsubstituted benzenoid Aromatic homomonocyclic compound Hydrocarbon derivative Organic oxygen compound Organooxygen compound Phenol Phenylpropane Aromatic homomonocyclic compounds logp 5.16 ALOGPS logs -4.31 ALOGPS logp 4.76 ChemAxon pka_strongest_acidic 9.55 ChemAxon pka_strongest_basic -6 ChemAxon iupac 4-(2-methylbutan-2-yl)-2-(prop-2-en-1-yl)phenol ChemAxon average_mass 204.308 ChemAxon mono_mass 204.151415262 ChemAxon smiles [H]OC1=C(C([H])=C(C([H])=C1[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])=C([H])[H] ChemAxon formula C14H20O ChemAxon inchi InChI=1S/C14H20O/c1-5-7-11-10-12(8-9-13(11)15)14(3,4)6-2/h5,8-10,15H,1,6-7H2,2-4H3 ChemAxon inchikey DFAHCHKNTOVDQQ-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 65.59 ChemAxon polarizability 24.48 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 23600 Specdb::CMs 40183 Specdb::MsMs 103656 Specdb::MsMs 103657 Specdb::MsMs 103658 Specdb::MsMs 169764 Specdb::MsMs 169765 Specdb::MsMs 169766 30776719 14339290 89188