Summary

IMPPAT Phytochemical identifier: IMPHY005123

Phytochemical name: 4-(1-Hydroxyethyl)-2-methoxyphenol

Synonymous chemical names:
4-1-hydroxyethyl-2-methoxyphenol

External chemical identifiers:
CID:17203, ChEBI:86590, SureChEMBL:SCHEMBL1301569, MolPort-000-003-957

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Chemical structure information

SMILES:
COc1cc(ccc1O)C(O)C

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

InChIKey:
BDRRAMWDUCXAKG-UHFFFAOYSA-N

DeepSMILES:
COcccccc6O))))CO)C

Functional groups:
CO, 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: Phenols

ClassyFire Subclass: Methoxyphenols

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Phenylethylamines

NP-Likeness score: 0.731

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Chemical structure download