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(E)-Coniferol

CAT: 0572-TRC-C684453-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C684453-100MGSize:100 mg
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CAS Number
32811-40-8
Synonyms
(E)-Coniferol
Hazard Statement
No Data Available
Smiles
COc1cc(\C=C\CO)ccc1O
Molecular Formula
C10 H12 O3
Molecular Weight
180.201
InChI
InChI=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+
Additionnal Information
IUPAC name: 4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenol
Shipping Conditions
Room Temperature

Chemical Information

Coniferyl Alcohol

Coniferol is a phenylpropanoid that is one of the main monolignols, produced by the reduction of the carboxy functional group in cinnamic acid and the addition of a hydroxy and a methoxy substituent to the aromatic ring. It has a role as a pheromone, a volatile oil component, a monolignol, an animal metabolite, a mouse metabolite and a plant metabolite. It is a member of guaiacols and a phenylpropanoid. It is functionally related to an (E)-cinnamyl alcohol.

CAS Number32811-40-8
PubChem CID1549095
IUPAC Name4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenol
Molecular FormulaC10H12O3
Molecular Weight180.20
XLogP1.4
Topological Polar Surface Area49.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity168
SMILES
COC1=C(C=CC(=C1)/C=C/CO)O
InChI
InChI=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+
InChIKey
JMFRWRFFLBVWSI-NSCUHMNNSA-N
Chemical Structure
2D Structure
2D structure of Coniferyl Alcohol
CAS: 32811-40-8
CID: 1549095
Formula: C10H12O3
MW: 180.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight180.20
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass180.078644241
Monoisotopic Mass180.078644241
Topological Polar Surface Area49.7 Ų
Heavy Atom Count13
Formal Charge0
Complexity168
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes