1.0 2010-04-08 22:15:13 UTC 2019-11-26 03:19:21 UTC FDB020727 3',4',5'-Trimethoxycinnamyl alcohol acetate Constituent of oil of bergamot (Citrus bergamia). 3',4',5'-Trimethoxycinnamyl alcohol acetate is found in citrus. (E)-3-(3,4,5-Trihydroxymethoxy)-2-propen-1-ol acetate 3',4',5'-Trimethoxycinnamyl alcohol acetate C14H18O5 266.2897 266.115423686 (2Z)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-yl acetate (2Z)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-yl acetate 87200-84-8 COC1=CC(\C=C/COC(C)=O)=CC(OC)=C1OC InChI=1S/C14H18O5/c1-10(15)19-7-5-6-11-8-12(16-2)14(18-4)13(9-11)17-3/h5-6,8-9H,7H2,1-4H3/b6-5- IMLQOKDTSYBFHF-WAYWQWQTSA-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 Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Methoxybenzenes Monocarboxylic acids and derivatives Organic oxides Phenoxy compounds Styrenes Alkyl aryl ether Anisole Aromatic homomonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Ether Hydrocarbon derivative Methoxybenzene Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenoxy compound Styrene logp 2.85 ALOGPS logs -3.78 ALOGPS solubility 4.37e-02 g/l ALOGPS logp 1.78 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac (2Z)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-yl acetate ChemAxon average_mass 266.2897 ChemAxon mono_mass 266.115423686 ChemAxon smiles COC1=CC(\C=C/COC(C)=O)=CC(OC)=C1OC ChemAxon formula C14H18O5 ChemAxon inchi InChI=1S/C14H18O5/c1-10(15)19-7-5-6-11-8-12(16-2)14(18-4)13(9-11)17-3/h5-6,8-9H,7H2,1-4H3/b6-5- ChemAxon inchikey IMLQOKDTSYBFHF-WAYWQWQTSA-N ChemAxon polar_surface_area 53.99 ChemAxon refractivity 71.73 ChemAxon polarizability 28.28 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 4 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18488 Specdb::CMs 157082 Specdb::MsMs 306982 Specdb::MsMs 306983 Specdb::MsMs 306984 Specdb::MsMs 350809 Specdb::MsMs 350810 Specdb::MsMs 350811 Specdb::MsMs 2803222 Specdb::MsMs 2803223 Specdb::MsMs 2803224 Specdb::MsMs 2879555 Specdb::MsMs 2879556 Specdb::MsMs 2879557 HMDB40891 #<Reference:0x000055ce32cbf740> Citrus Unknown generic