1.0
2010-04-08 22:05:33 UTC
2015-07-20 21:49:00 UTC
FDB002869
alpha,alpha-Dimethylanisalacetone
Flavouring ingredient
1-(4-Methoxyphenyl)-4-methyl-1-penten-3-one
1-(4-Methoxyphenyl)-4-methyl-1-penten-3-one, 9CI
1-(P-Methoxyphenyl)-4-methyl-1-penten-3-one
1-Penten-3-one, 1-(4-methoxyphenyl)-4-methyl-
1-Penten-3-one, 1-(p-methoxyphenyl)-4-methyl-
a,a-Dimethylanisalacetone
Alpha,alpha-dimethylanisalacetone
Homoethone
Isopropyl 4-methoxystyryl ketone
Methoxystyryl isopropyl ketone
P-methoxylstyryl isopropyl ketone
C13H16O2
204.2649
204.115029756
(1E)-1-(4-methoxyphenyl)-4-methylpent-1-en-3-one
(1E)-1-(4-methoxyphenyl)-4-methylpent-1-en-3-one
67962-14-5
COC1=CC=C(\C=C\C(=O)C(C)C)C=C1
InChI=1S/C13H16O2/c1-10(2)13(14)9-6-11-4-7-12(15-3)8-5-11/h4-10H,1-3H3/b9-6+
ZIXVMEYRFPMOAV-RMKNXTFCSA-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
Acryloyl compounds
Alkyl aryl ethers
Enones
Hydrocarbon derivatives
Ketones
Methoxybenzenes
Organic oxides
Phenoxy compounds
Styrenes
Acryloyl-group
Alkyl aryl ether
Alpha,beta-unsaturated ketone
Anisole
Aromatic homomonocyclic compound
Carbonyl group
Enone
Ether
Hydrocarbon derivative
Ketone
Methoxybenzene
Monocyclic benzene moiety
Organic oxide
Organic oxygen compound
Organooxygen compound
Phenoxy compound
Styrene
logp
3.20
logs
-3.72
solubility
3.91e-02 g/l
logp
3.55
pka_strongest_basic
-4.5
iupac
(1E)-1-(4-methoxyphenyl)-4-methylpent-1-en-3-one
average_mass
204.2649
mono_mass
204.115029756
smiles
COC1=CC=C(\C=C\C(=O)C(C)C)C=C1
formula
C13H16O2
inchi
InChI=1S/C13H16O2/c1-10(2)13(14)9-6-11-4-7-12(15-3)8-5-11/h4-10H,1-3H3/b9-6+
inchikey
ZIXVMEYRFPMOAV-RMKNXTFCSA-N
polar_surface_area
26.3
refractivity
62.28
polarizability
23.52
rotatable_bond_count
4
acceptor_count
2
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
22860
Specdb::CMs
29191
Specdb::CMs
100567
Specdb::CMs
165047
Specdb::MsIr
4010
Specdb::MsIr
4011
Specdb::MsMs
101166
Specdb::MsMs
101167
Specdb::MsMs
101168
Specdb::MsMs
166707
Specdb::MsMs
166708
Specdb::MsMs
166709
Specdb::MsMs
2780569
Specdb::MsMs
2780570
Specdb::MsMs
2780571
Specdb::MsMs
2925730
Specdb::MsMs
2925731
Specdb::MsMs
2925732
HMDB30904
#<Reference:0x0000555675f9bf20>