Summary

IMPPAT Phytochemical identifier: IMPHY006029

Phytochemical name: 4-Methoxybenzyl alcohol

Synonymous chemical names:
4-me ether-4-hydroxybenzyl alcohol, 4-methoxybenzyl alcohol, anisyl alcohol

External chemical identifiers:
CID:7738, ChEMBL:CHEMBL294431, ZINC:ZINC000000388232, FDASRS:7N6XGV3U49, SureChEMBL:SCHEMBL27329, MolPort-001-759-992

---

Chemical structure information

SMILES:
OCc1ccc(cc1)OC

InChI:
InChI=1S/C8H10O2/c1-10-8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H3

InChIKey:
MSHFRERJPWKJFX-UHFFFAOYSA-N

DeepSMILES:
OCcccccc6))OC

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: Benzene and substituted derivatives

ClassyFire Subclass: Benzyl alcohols

NP-Likeness score: 0.231

---

Chemical structure download