Summary

IMPPAT Phytochemical identifier: IMPHY016954

Phytochemical name: 3,5-Dimethoxyphenol

Synonymous chemical names:
3,5-dimethoxyphenol

External chemical identifiers:
CID:10383, ChEMBL:CHEMBL462989, ChEBI:88715, ZINC:ZINC000000388212, FDASRS:23UXW8136A, SureChEMBL:SCHEMBL233829, MolPort-001-759-187

---

Chemical structure information

SMILES:
COc1cc(OC)cc(c1)O

InChI:
InChI=1S/C8H10O3/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5,9H,1-2H3

InChIKey:
XQDNFAMOIPNVES-UHFFFAOYSA-N

DeepSMILES:
COcccOC))ccc6)O

Functional groups:
cO, cOC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenols

ClassyFire Subclass: Methoxyphenols

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Phloroglucinols

NP Classifier Class: Acyl phloroglucinols

NP-Likeness score: 0.624

---

Chemical structure download