Summary

IMPPAT Phytochemical identifier: IMPHY006672

Phytochemical name: 3,4-Dimethoxybenzyl alcohol

Synonymous chemical names:
3,4-dimethoxybenzyl alcohol, veratryl alcohol

External chemical identifiers:
CID:7118, ChEBI:62150, ZINC:ZINC000000388569, FDASRS:MB4T4A711H, SureChEMBL:SCHEMBL119395, MolPort-001-791-495

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Chemical structure information

SMILES:
COc1cc(CO)ccc1OC

InChI:
InChI=1S/C9H12O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5,10H,6H2,1-2H3

InChIKey:
OEGPRYNGFWGMMV-UHFFFAOYSA-N

DeepSMILES:
COcccCO))ccc6OC

Functional groups:
CO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Methoxybenzenes

NP-Likeness score: 0.375

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Chemical structure download