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
logs
-4.96
solubility
2.78e-03 g/l
logp
3.32
pka_strongest_basic
-4.8
iupac
(4-methoxyphenyl)methyl 2-phenylacetate
average_mass
256.2964
mono_mass
256.109944378
smiles
COC1=CC=C(COC(=O)CC2=CC=CC=C2)C=C1
formula
C16H16O3
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
inchikey
VCYWCSZLXMMLLE-UHFFFAOYSA-N
polar_surface_area
35.53
refractivity
73.21
polarizability
27.83
rotatable_bond_count
6
acceptor_count
2
donor_count
0
physiological_charge
0
formal_charge
0
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:0x0000555675b185e8>
anise
balsam
honey
woody