Summary

IMPPAT Phytochemical identifier: IMPHY006030

Phytochemical name: 3,4,5-Trimethoxybenzyl alcohol

Synonymous chemical names:
3,4,5-trimethoxybenzyl alcohol

External chemical identifiers:
CID:77449, ZINC:ZINC000000164563, SureChEMBL:SCHEMBL1122521, MolPort-001-769-188

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Chemical structure information

SMILES:
COc1cc(CO)cc(c1OC)OC

InChI:
InChI=1S/C10H14O4/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5,11H,6H2,1-3H3

InChIKey:
QPHLRCUCFDXGLY-UHFFFAOYSA-N

DeepSMILES:
COcccCO))ccc6OC)))OC

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: Benzyl alcohols

NP-Likeness score: 0.613

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Chemical structure download