1.0 2026-09-21 21:09:38 UTC 2026-09-21 21:09:38 UTC FDB117105 beta-Asarone 1,2,4-trimethoxy-5-[(Z)-prop-1-enyl]benzene C12H16O3 208.2536 208.109944378 1,2,4-trimethoxy-5-[(1E)-prop-1-en-1-yl]benzene asarone COC1=CC(OC)=C(\C=C\C)C=C1OC InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5+ RKFAZBXYICVSKP-AATRIKPKSA-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 Hydrocarbon derivatives Methoxybenzenes Phenoxy compounds Styrenes Alkyl aryl ether Anisole Aromatic homomonocyclic compound Ether Hydrocarbon derivative Methoxybenzene Monocyclic benzene moiety Organic oxygen compound Organooxygen compound Phenoxy compound Styrene asarone logp 3.35 ALOGPS logs -2.78 ALOGPS solubility 3.49e-01 g/l ALOGPS logp 2.62 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 1,2,4-trimethoxy-5-[(1E)-prop-1-en-1-yl]benzene ChemAxon average_mass 208.2536 ChemAxon mono_mass 208.109944378 ChemAxon smiles COC1=CC(OC)=C(\C=C\C)C=C1OC ChemAxon formula C12H16O3 ChemAxon inchi InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5+ ChemAxon inchikey RKFAZBXYICVSKP-AATRIKPKSA-N ChemAxon polar_surface_area 27.69 ChemAxon refractivity 60.81 ChemAxon polarizability 23.24 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14342 Specdb::CMs 132705 Specdb::CMs 140439 Specdb::MsIr 4475 Specdb::MsIr 4476 Specdb::MsMs 66657 Specdb::MsMs 66658 Specdb::MsMs 66659 Specdb::MsMs 124269 Specdb::MsMs 124270 Specdb::MsMs 124271 Specdb::MsMs 2356647 Specdb::MsMs 2356648 Specdb::MsMs 2356649 Specdb::MsMs 2609459 Specdb::MsMs 2609460 Specdb::MsMs 2609461