1.0 2010-04-08 22:10:03 UTC 2025-11-18 23:34:53 UTC FDB012207 Isochavibetol Isochavibetol 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. Isochavibetol is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Isochavibetol can be found in anise, which makes isochavibetol a potential biomarker for the consumption of this food product. Isochavibetol C10H12O2 164.2011 164.083729628 2-methoxy-5-[(1Z)-prop-1-en-1-yl]phenol 2-methoxy-5-[(1Z)-prop-1-en-1-yl]phenol 501-20-2 COC1=C(O)C=C(\C=C/C)C=C1 InChI=1S/C10H12O2/c1-3-4-8-5-6-10(12-2)9(11)7-8/h3-7,11H,1-2H3/b4-3- LHJZSWVADJCBNI-ARJAWSKDSA-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-[(1Z)-prop-1-en-1-yl]phenol ChemAxon average_mass 164.2011 ChemAxon mono_mass 164.083729628 ChemAxon smiles COC1=C(O)C=C(\C=C/C)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/b4-3- ChemAxon inchikey LHJZSWVADJCBNI-ARJAWSKDSA-N ChemAxon polar_surface_area 29.46 ChemAxon refractivity 49.86 ChemAxon polarizability 18.1 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 69270 Specdb::MsMs 69271 Specdb::MsMs 69272 Specdb::MsMs 127509 Specdb::MsMs 127510 Specdb::MsMs 127511 Specdb::MsMs 3605347 Specdb::MsMs 3605348 Specdb::MsMs 3605349 Specdb::MsMs 3605350 Specdb::MsMs 3605351 Specdb::MsMs 3605352 Anise Type 1 specific Pimpinella anisum 271192 25.0 25.0 25.0 mg/100 g