1.0 2010-04-08 22:05:26 UTC 2020-02-24 19:10:33 UTC FDB002586 Obtustyrene Stress metabolite of pea. Obtustyrene is found in pulses and common pea. 3-Methoxy-4-(3-phenyl-2-propenyl)-(e)-phenol 3-Methoxy-4-(3-phenyl-2-propenyl)phenol, 9CI 4-Cinnamyl-3-methoxyphenol Phenol, 3-methoxy-4-(3-phenyl-2-propenyl)-, (e)- C16H16O2 240.297 240.115029756 3-methoxy-4-[(2E)-3-phenylprop-2-en-1-yl]phenol 3-methoxy-4-[(2E)-3-phenylprop-2-en-1-yl]phenol 21148-31-2 COC1=C(C\C=C\C2=CC=CC=C2)C=CC(O)=C1 InChI=1S/C16H16O2/c1-18-16-12-15(17)11-10-14(16)9-5-8-13-6-3-2-4-7-13/h2-8,10-12,17H,9H2,1H3/b8-5+ ZAGLUIIUOWEVEN-VMPITWQZSA-N belongs to the class of organic compounds known as cinnamylphenols. These are organic compounds containing the 1,3-diphenylpropene moiety with one benzene ring bearing one or more hydroxyl groups. Cinnamylphenols Organic compounds Phenylpropanoids and polyketides Linear 1,3-diarylpropanoids Cinnamylphenols Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Phenoxy compounds Styrenes 1-hydroxy-2-unsubstituted benzenoid Alkyl aryl ether Anisole Aromatic homomonocyclic compound Benzenoid Cinnamylphenol Ether Hydrocarbon derivative Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxygen compound Organooxygen compound Phenol Phenol ether Phenoxy compound Styrene logp 4.09 ALOGPS logs -4.39 ALOGPS solubility 9.83e-03 g/l ALOGPS logp 4.21 ChemAxon pka_strongest_acidic 9.46 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac 3-methoxy-4-[(2E)-3-phenylprop-2-en-1-yl]phenol ChemAxon average_mass 240.297 ChemAxon mono_mass 240.115029756 ChemAxon smiles COC1=C(C\C=C\C2=CC=CC=C2)C=CC(O)=C1 ChemAxon formula C16H16O2 ChemAxon inchi InChI=1S/C16H16O2/c1-18-16-12-15(17)11-10-14(16)9-5-8-13-6-3-2-4-7-13/h2-8,10-12,17H,9H2,1H3/b8-5+ ChemAxon inchikey ZAGLUIIUOWEVEN-VMPITWQZSA-N ChemAxon polar_surface_area 29.46 ChemAxon refractivity 74.56 ChemAxon polarizability 27.09 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 74892 Specdb::MsMs 74893 Specdb::MsMs 74894 Specdb::MsMs 134412 Specdb::MsMs 134413 Specdb::MsMs 134414 Specdb::MsMs 2349865 Specdb::MsMs 2349866 Specdb::MsMs 2349867 Specdb::MsMs 2589301 Specdb::MsMs 2589302 Specdb::MsMs 2589303 Specdb::CMs 9652 Specdb::CMs 42077 Specdb::CMs 135564 Specdb::CMs 143298 HMDB30672 #<Reference:0x000055ce30b069c8> Common pea Type 1 specific Pisum sativum 3888 Pulses Unknown generic