Chemical substance record

Coniferol

458-35-5C₁₀H₁₂O₃180.203 g/mol

Organic/Inorganic Small MoleculeChEBI source record

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. — ChEBI

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Identity & molecular properties

Source-linked values

CAS number	458-35-5	ChEBI ↗
Molecular formula	C₁₀H₁₂O₃	ChEBI ↗
Molar mass	180.203 g/mol	ChEBI ↗
Monoisotopic mass	180.07864 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:17745	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	180.20 g/mol	PubChem ↗
Exact mass	180.078644241 Da	PubChem ↗
Computed XLogP	1.4	PubChem ↗
Topological polar surface area (Å²)	49.7	PubChem ↗
H-bond donors	2	PubChem ↗
H-bond acceptors	3	PubChem ↗
Rotatable bonds	3	PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

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Source preferred name

coniferol

IUPAC name

4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol

InChIKey

JMFRWRFFLBVWSI-NSCUHMNNSA-N

SMILES

COc1cc(/C=C/CO)ccc1O

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+

Names & synonyms

4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology

guaiacolsChEBI parent class · 134251 ↗phenylpropanoidChEBI parent class · 26004 ↗

ether phenols organic molecular entity

Roles recorded in ChEBI

pheromonevolatile oil componentmonolignolanimal metabolitemouse metaboliteplant metabolite

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass

Amount

Input unit

Equivalent amount

0.0055493 mol

Uses 180.203 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions

C

Carbon · 10 atoms

66.65%

O

Oxygen · 3 atoms

26.63%

H

Hydrogen · 12 atoms

6.71%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations

Coniferyl alcohol metabolism in conifers -- II. Coniferyl alcohol and dihydroconiferyl alcohol biosynthesis. ↗Phytochemistry · 2001 Aug · PMID 11430982

Preparation of antibody against agatharesinol, a norlignan, using a hapten-carrier conjugate. ↗Phytochemistry · 2001 Nov · PMID 11684179

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:17745

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

Additional molecular descriptorsNCBI PubChem · CID 1549095 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

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