1.0 2010-04-08 22:11:05 UTC 2019-11-26 03:09:33 UTC FDB014126 (E,E)-1,6-bis(4-methoxyphenyl)-1,5-hexadiene Neolignan from essential oil of Ocimum americanum (wild basil). (E,E)-1,6-bis(4-methoxyphenyl)-1,5-hexadiene is found in herbs and spices. C20H22O2 294.3875 294.161979948 1-methoxy-4-[(1E,5E)-6-(4-methoxyphenyl)hexa-1,5-dien-1-yl]benzene 1-methoxy-4-[(1E,5E)-6-(4-methoxyphenyl)hexa-1,5-dien-1-yl]benzene 72448-90-9 COC1=CC=C(\C=C\CC\C=C\C2=CC=C(OC)C=C2)C=C1 InChI=1S/C20H22O2/c1-21-19-13-9-17(10-14-19)7-5-3-4-6-8-18-11-15-20(22-2)16-12-18/h5-16H,3-4H2,1-2H3/b7-5+,8-6+ FWOYMKXDIXNXIC-KQQUZDAGSA-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 logp 5.76 ALOGPS logs -6.38 ALOGPS solubility 1.22e-04 g/l ALOGPS melting_point Mp 170-171° logp 5.41 ChemAxon pka_strongest_basic -4.5 ChemAxon iupac 1-methoxy-4-[(1E,5E)-6-(4-methoxyphenyl)hexa-1,5-dien-1-yl]benzene ChemAxon average_mass 294.3875 ChemAxon mono_mass 294.161979948 ChemAxon smiles COC1=CC=C(\C=C\CC\C=C\C2=CC=C(OC)C=C2)C=C1 ChemAxon formula C20H22O2 ChemAxon inchi InChI=1S/C20H22O2/c1-21-19-13-9-17(10-14-19)7-5-3-4-6-8-18-11-15-20(22-2)16-12-18/h5-16H,3-4H2,1-2H3/b7-5+,8-6+ ChemAxon inchikey FWOYMKXDIXNXIC-KQQUZDAGSA-N ChemAxon polar_surface_area 18.46 ChemAxon refractivity 93.96 ChemAxon polarizability 35.59 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16250 Specdb::CMs 132123 Specdb::CMs 139857 Specdb::MsMs 73023 Specdb::MsMs 73024 Specdb::MsMs 73025 Specdb::MsMs 132099 Specdb::MsMs 132100 Specdb::MsMs 132101 Specdb::MsMs 2826987 Specdb::MsMs 2826988 Specdb::MsMs 2826989 Specdb::MsMs 2851501 Specdb::MsMs 2851502 Specdb::MsMs 2851503 HMDB35443 #<Reference:0x000055ce32d9da90> Herbs and Spices Unknown generic