1.0 2010-04-08 22:10:51 UTC 2019-11-26 03:08:52 UTC FDB013695 Verimol I Constituent of Illicium verum (Chinese staranise). Verimol I is found in fruits. Verimol I C12H14O3 206.2378 206.094294314 (2E)-3-(4-methoxyphenyl)prop-2-en-1-yl acetate (2E)-3-(4-methoxyphenyl)prop-2-en-1-yl acetate 53484-54-1 COC1=CC=C(\C=C\COC(C)=O)C=C1 InChI=1S/C12H14O3/c1-10(13)15-9-3-4-11-5-7-12(14-2)8-6-11/h3-8H,9H2,1-2H3/b4-3+ XQNPFRPIWBMLRN-ONEGZZNKSA-N belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof. Anisoles Organic compounds Benzenoids Phenol ethers Anisoles Aromatic homomonocyclic compounds Alkyl aryl ethers Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Methoxybenzenes Monocarboxylic acids and derivatives Organic oxides Phenoxy compounds Styrenes Alkyl aryl ether Anisole Aromatic homomonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Ether Hydrocarbon derivative Methoxybenzene Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenoxy compound Styrene methoxybenzene logp 2.98 ALOGPS logs -3.52 ALOGPS solubility 6.22e-02 g/l ALOGPS logp 2.1 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac (2E)-3-(4-methoxyphenyl)prop-2-en-1-yl acetate ChemAxon average_mass 206.2378 ChemAxon mono_mass 206.094294314 ChemAxon smiles COC1=CC=C(\C=C\COC(C)=O)C=C1 ChemAxon formula C12H14O3 ChemAxon inchi InChI=1S/C12H14O3/c1-10(13)15-9-3-4-11-5-7-12(14-2)8-6-11/h3-8H,9H2,1-2H3/b4-3+ ChemAxon inchikey XQNPFRPIWBMLRN-ONEGZZNKSA-N ChemAxon polar_surface_area 35.53 ChemAxon refractivity 58.81 ChemAxon polarizability 22.82 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25935 Specdb::CMs 175015 Specdb::MsIr 6786 Specdb::MsIr 6787 Specdb::MsMs 78063 Specdb::MsMs 78064 Specdb::MsMs 78065 Specdb::MsMs 138318 Specdb::MsMs 138319 Specdb::MsMs 138320 Specdb::MsMs 2456406 Specdb::MsMs 2456407 Specdb::MsMs 2456408 Specdb::MsMs 2479291 Specdb::MsMs 2479292 Specdb::MsMs 2479293 HMDB35071 #<Reference:0x000055ce31f6b1e8> Fruits Unknown generic