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)OCInChI:
InChI=1S/C8H10O2/c1-10-8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H3InChIKey:
MSHFRERJPWKJFX-UHFFFAOYSA-NDeepSMILES:
OCcccccc6))OCFunctional groups:
CO, cOC
Molecular scaffolds
Scaffold Graph/Node/Bond level:
c1ccccc1Scaffold Graph/Node level:
C1CCCCC1Scaffold Graph level:
C1CCCCC1
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: BenzenoidsClassyFire Class: Benzene and substituted derivatives
ClassyFire Subclass: Benzyl alcohols
NP-Likeness score: 0.231
Chemical structure download