1.0 2016-09-30 22:37:52 UTC 2020-04-22 15:05:43 UTC BMDB0000873 BMDB00873 4-Methylcatechol 1,2-Dihydroxy-4-methylbenzene 2-Hydroxy-4-methylphenol 3,4-Dihydroxytoluene 4-Methyl-1,2-benzenediol 4-Methyl-1,2-dihydroxybenzene 4-Methylpyrocatechol Homocatechol Homopyrocatechol p-Methylcatechol p-Methylpyrocatechol Toluene-3,4-diol 1-Methyl-3,4-dihydroxybenzene 4-Methyl-pyrocatechol 4-Methylcatehol 4-Metylcatechol 5-Methylcatechol C7H8O2 124.1372 124.0524295 4-methylbenzene-1,2-diol 4-methyl-1,2-benzenediol 452-86-8 CC1=CC=C(O)C(O)=C1 InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3 ZBCATMYQYDCTIZ-UHFFFAOYSA-N belongs to the class of organic compounds known as catechols. Catechols are compounds containing a 1,2-benzenediol moiety. Organic compounds Benzenoids Phenols Benzenediols Catechols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Hydrocarbon derivatives Meta cresols Organooxygen compounds Para cresols Toluenes 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic homomonocyclic compound Catechol Hydrocarbon derivative M-cresol Monocyclic benzene moiety Organic oxygen compound Organooxygen compound P-cresol Toluene Aromatic homomonocyclic compounds a catechol methylcatechol Solid melting_point 65 °C logp 1.37 HANSCH,C ET AL. (1995) logp 1.02 ALOGPS logs -0.52 ALOGPS logp 1.88 ChemAxon pka_strongest_acidic 9.55 ChemAxon pka_strongest_basic -6.2 ChemAxon iupac 4-methylbenzene-1,2-diol ChemAxon average_mass 124.1372 ChemAxon mono_mass 124.0524295 ChemAxon smiles CC1=CC=C(O)C(O)=C1 ChemAxon formula C7H8O2 ChemAxon inchi InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3 ChemAxon inchikey ZBCATMYQYDCTIZ-UHFFFAOYSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 35.06 ChemAxon polarizability 12.82 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 2 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::NmrTwoD 1520 Specdb::MsIr 42 Specdb::MsIr 50 Specdb::MsIr 932 Specdb::MsIr 933 Specdb::MsIr 934 Specdb::MsMs 1232 Specdb::MsMs 1233 Specdb::MsMs 1234 Specdb::MsMs 240325 Specdb::MsMs 240326 Specdb::MsMs 240327 Specdb::MsMs 242380 Specdb::MsMs 242381 Specdb::MsMs 242382 Specdb::MsMs 440173 Specdb::MsMs 2238132 Specdb::MsMs 2239465 Specdb::MsMs 2244309 Specdb::MsMs 2245816 Specdb::MsMs 2246395 Specdb::MsMs 2247875 Specdb::MsMs 2248520 Specdb::MsMs 2249874 Specdb::MsMs 2250554 Specdb::MsMs 2251819 Specdb::MsMs 2464587 Specdb::MsMs 2464588 Specdb::MsMs 2464589 Specdb::MsMs 2500838 Specdb::MsMs 2500839 Specdb::CMs 5726 Specdb::CMs 31786 Specdb::CMs 37817 Specdb::CMs 99626 Specdb::CMs 148625 Specdb::CMs 1080710 Specdb::CMs 1080712 Specdb::CMs 1080714 Specdb::CMs 1080715 Specdb::CMs 1080717 Specdb::NmrOneD 1578 Specdb::NmrOneD 20962 Specdb::NmrOneD 20963 Specdb::NmrOneD 20964 Specdb::NmrOneD 20965 Specdb::NmrOneD 20966 Specdb::NmrOneD 20967 Specdb::NmrOneD 20968 Specdb::NmrOneD 20969 Specdb::NmrOneD 20970 Specdb::NmrOneD 20971 Specdb::NmrOneD 20972 Specdb::NmrOneD 20973 Specdb::NmrOneD 20974 Specdb::NmrOneD 20975 Specdb::NmrOneD 20976 Specdb::NmrOneD 20977 Specdb::NmrOneD 20978 Specdb::NmrOneD 20979 Specdb::NmrOneD 20980 Specdb::NmrOneD 20981 C06730 DB04120 FDB008861 9564 C00002660 9958 17254 704 4-Methylcatechol 5834 Liang, Zesheng; Zhang, Ying; Wu, Baojun; Zhang, Mingsen; Wang, Xiu'en. Preparation of 4-methylcatechol with good yield and selectivity. Faming Zhuanli Shenqing Gongkai Shuomingshu (2001), 6 pp.