Summary

IMPPAT Phytochemical identifier: IMPHY003025

Phytochemical name: 1-(3,4,5-Trimethoxyphenyl)ethanol

Synonymous chemical names:
1-(3,4,5-trimethoxyphenyl) ethanol

External chemical identifiers:
CID:254122, SureChEMBL:SCHEMBL8115552

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Chemical structure information

SMILES:
COc1cc(cc(c1OC)OC)C(O)C

InChI:
InChI=1S/C11H16O4/c1-7(12)8-5-9(13-2)11(15-4)10(6-8)14-3/h5-7,12H,1-4H3

InChIKey:
IONRJSKJWDOGAY-UHFFFAOYSA-N

DeepSMILES:
COcccccc6OC)))OC))))CO)C

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: Phenol ethers

ClassyFire Subclass: Anisoles

NP-Likeness score: 0.517

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Chemical structure download