1.0 2010-04-08 22:04:32 UTC 2025-11-18 22:17:03 UTC FDB000338 2-Methoxy-5-prop-1-enylphenol 2-methoxy-5-prop-1-enylphenol is a member of the class of compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. 2-methoxy-5-prop-1-enylphenol is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 2-methoxy-5-prop-1-enylphenol can be found in sesame, which makes 2-methoxy-5-prop-1-enylphenol a potential biomarker for the consumption of this food product. 2-Methoxy-5-prop-1-enylbenzene C10H12O2 164.2011 164.083729628 2-methoxy-5-(prop-1-en-1-yl)phenol 2-methoxy-5-(prop-1-en-1-yl)phenol 104-46-1 COC1=C(O)C=C(C=CC)C=C1 InChI=1S/C10H12O2/c1-3-4-8-5-6-10(12-2)9(11)7-8/h3-7,11H,1-2H3 LHJZSWVADJCBNI-UHFFFAOYSA-N belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Methoxyphenols Organic compounds Benzenoids Phenols Methoxyphenols Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Anisoles Hydrocarbon derivatives Methoxybenzenes Phenoxy compounds Styrenes 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alkyl aryl ether Anisole Aromatic homomonocyclic compound Ether Hydrocarbon derivative Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxygen compound Organooxygen compound Phenol ether Phenoxy compound Styrene logp 2.79 ALOGPS logs -2.04 ALOGPS solubility 1.48e+00 g/l ALOGPS logp 2.64 ChemAxon pka_strongest_acidic 9.86 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 2-methoxy-5-(prop-1-en-1-yl)phenol ChemAxon average_mass 164.2011 ChemAxon mono_mass 164.083729628 ChemAxon smiles COC1=C(O)C=C(C=CC)C=C1 ChemAxon formula C10H12O2 ChemAxon inchi InChI=1S/C10H12O2/c1-3-4-8-5-6-10(12-2)9(11)7-8/h3-7,11H,1-2H3 ChemAxon inchikey LHJZSWVADJCBNI-UHFFFAOYSA-N ChemAxon polar_surface_area 29.46 ChemAxon refractivity 49.86 ChemAxon polarizability 18.36 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 43530 Specdb::MsMs 43531 Specdb::MsMs 43532 Specdb::MsMs 172050 Specdb::MsMs 172051 Specdb::MsMs 172052 Specdb::MsMs 3597088 Specdb::MsMs 3597089 Specdb::MsMs 3597090 Specdb::MsMs 3597091 Specdb::MsMs 3597092 Specdb::MsMs 3597093 Sesame Type 1 specific Sesamum orientale 4182 0.35165 0.351649994 0.351649994 mg/100 g