Common Name(e)-coniferol
DescriptionConiferyl alcohol (CAS: 458-35-5), also known as coniferol, belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Coniferyl alcohol is an organic compound. When copolymerized with related aromatic compounds, coniferyl alcohol forms lignin or lignans. Coniferyl alcohol is an intermediate in the biosynthesis of eugenol, stilbenoids, and coumarin. Outside of the human body, coniferyl alcohol has been detected, but not quantified in, several different foods, such as common sages, chestnuts, cereals and cereal products, gingers, and cashew nuts. This could make coniferyl alcohol a potential biomarker for the consumption of these foods. Gum benzoin contains a significant amount of coniferyl alcohol and its esters. Coniferyl alcohol is an organic compound. This colourless crystalline solid is a phytochemical, one of the monolignols. It is synthesized via the phenylpropanoid biochemical pathway.
Structure
Molecular FormulaC10H12O3
Average Mass180.20050
Monoisotopic Mass180.07864
IUPAC Name4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol
Traditional NameConiferyl alcohol
CAS Registry Number32811-40-8
SMILESCOc1cc(/C=C/CO)ccc1O
InChI IdentifierInChI=1S/C10H12O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,7,11-12H,6H2,1H3/b3-2+
InChI KeyJMFRWRFFLBVWSI-NSCUHMNNSA-N
CHEBI IDCHEBI:17745
HMDB IDHMDB0012915
StateNot Available
Water Solubility1.78e+00 g/l
logP1.51
logS-2.01
pKa (Strongest Acidic)9.98
pKa (Strongest Basic)-2.53
Hydrogen Acceptor Count3
Hydrogen Donor Count2
Polar Surface Area49.69 Ų
Rotatable Bond Count3
Physiological Charge0
Formal Charge0
Refractivity51.64 m³·mol⁻¹
Polarizability19.28

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