1.0 2010-04-08 22:13:13 UTC 2019-11-26 03:15:00 UTC FDB017659 Verimol A Constituent of Illicium verum (Chinese star anise). Verimol A is found in fruits. Verimol A C18H20O5 316.3484 316.13107375 1-hydroxy-1-(4-methoxyphenyl)propan-2-yl 4-methoxybenzoate 1-hydroxy-1-(4-methoxyphenyl)propan-2-yl 4-methoxybenzoate 212516-34-2 COC1=CC=C(C=C1)C(O)C(C)OC(=O)C1=CC=C(OC)C=C1 InChI=1S/C18H20O5/c1-12(17(19)13-4-8-15(21-2)9-5-13)23-18(20)14-6-10-16(22-3)11-7-14/h4-12,17,19H,1-3H3 MHJLKHNHGMUAPQ-UHFFFAOYSA-N belongs to the class of organic compounds known as p-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 4 of the benzene ring is replaced by a methoxy group. P-methoxybenzoic acids and derivatives Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aromatic homomonocyclic compounds Alkyl aryl ethers Anisoles Aromatic alcohols Benzoic acid esters Benzoyl derivatives Carboxylic acid esters Hydrocarbon derivatives Methoxybenzenes Monocarboxylic acids and derivatives Organic oxides Phenoxy compounds Phenylpropanes Secondary alcohols Alcohol Alkyl aryl ether Anisole Aromatic alcohol Aromatic homomonocyclic compound Benzoate ester Benzoyl Carboxylic acid derivative Carboxylic acid ester Ether Hydrocarbon derivative Methoxybenzene Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound P-methoxybenzoic acid or derivatives Phenol ether Phenoxy compound Phenylpropane Secondary alcohol logp 3.16 ALOGPS logs -3.82 ALOGPS solubility 4.76e-02 g/l ALOGPS logp 3.17 ChemAxon pka_strongest_acidic 13.47 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 1-hydroxy-1-(4-methoxyphenyl)propan-2-yl 4-methoxybenzoate ChemAxon average_mass 316.3484 ChemAxon mono_mass 316.13107375 ChemAxon smiles COC1=CC=C(C=C1)C(O)C(C)OC(=O)C1=CC=C(OC)C=C1 ChemAxon formula C18H20O5 ChemAxon inchi InChI=1S/C18H20O5/c1-12(17(19)13-4-8-15(21-2)9-5-13)23-18(20)14-6-10-16(22-3)11-7-14/h4-12,17,19H,1-3H3 ChemAxon inchikey MHJLKHNHGMUAPQ-UHFFFAOYSA-N ChemAxon polar_surface_area 64.99 ChemAxon refractivity 86 ChemAxon polarizability 33 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9384 Specdb::CMs 45759 Specdb::CMs 158074 Specdb::MsMs 57060 Specdb::MsMs 57061 Specdb::MsMs 57062 Specdb::MsMs 112629 Specdb::MsMs 112630 Specdb::MsMs 112631 Specdb::MsMs 452108 Specdb::MsMs 2817681 Specdb::MsMs 2817682 Specdb::MsMs 2817683 Specdb::MsMs 2887334 Specdb::MsMs 2887335 Specdb::MsMs 2887336 HMDB38324 #<Reference:0x000055ce325c7d98> Fruits Unknown generic