1.0 2010-04-08 22:10:48 UTC 2015-07-20 23:00:39 UTC FDB013595 4-Methoxybenzyl phenylacetate Flavouring agent for honey flavours (4-Methoxyphenyl)methyl benzeneacetate 4-Methoxybenzyl phenylacetate Acetic acid, phenyl-, p-methoxybenzyl ester Anisyl alpha-toluate Anisyl phenylacetate Benzeneacetic acid, (4-methoxyphenyl)methyl ester FEMA 3740 P-anisyl phenylacetate P-methoxybenzyl phenylacetate Phenylacetic acid, p-methoxybenzyl ester C16H16O3 256.2964 256.109944378 (4-methoxyphenyl)methyl 2-phenylacetate (4-methoxyphenyl)methyl 2-phenylacetate 102-17-0 COC1=CC=C(COC(=O)CC2=CC=CC=C2)C=C1 InChI=1S/C16H16O3/c1-18-15-9-7-14(8-10-15)12-19-16(17)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3 VCYWCSZLXMMLLE-UHFFFAOYSA-N belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group. Benzyloxycarbonyls Organic compounds Benzenoids Benzene and substituted derivatives Benzyloxycarbonyls Aromatic homomonocyclic compounds Alkyl aryl ethers Anisoles Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Methoxybenzenes Monocarboxylic acids and derivatives Organic oxides Phenoxy compounds Alkyl aryl ether Anisole Aromatic homomonocyclic compound Benzyloxycarbonyl Carbonyl group Carboxylic acid derivative Carboxylic acid ester Ether Hydrocarbon derivative Methoxybenzene Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Phenol ether Phenoxy compound logp 3.74 ALOGPS logs -4.96 ALOGPS solubility 2.78e-03 g/l ALOGPS logp 3.32 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac (4-methoxyphenyl)methyl 2-phenylacetate ChemAxon average_mass 256.2964 ChemAxon mono_mass 256.109944378 ChemAxon smiles COC1=CC=C(COC(=O)CC2=CC=CC=C2)C=C1 ChemAxon formula C16H16O3 ChemAxon inchi InChI=1S/C16H16O3/c1-18-15-9-7-14(8-10-15)12-19-16(17)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3 ChemAxon inchikey VCYWCSZLXMMLLE-UHFFFAOYSA-N ChemAxon polar_surface_area 35.53 ChemAxon refractivity 73.21 ChemAxon polarizability 27.83 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9897 Specdb::CMs 170994 Specdb::MsMs 54819 Specdb::MsMs 54820 Specdb::MsMs 54821 Specdb::MsMs 156621 Specdb::MsMs 156622 Specdb::MsMs 156623 Specdb::MsMs 2334598 Specdb::MsMs 2334599 Specdb::MsMs 2334600 Specdb::MsMs 2628164 Specdb::MsMs 2628165 Specdb::MsMs 2628166 HMDB34992 #<Reference:0x000055ce32b7f150> anise balsam honey woody