Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID005029

Phytochemical name: 2-(4-Hydroxyphenyl)ethanol

Synonymous chemical names:
tyrosol (beta-p-hydroxyphenyl)ethanol), Tyrosol, Ethanol,2-(4-hydroxyphenyl), 2-(4-hydroxy-phenyl)-2-methoxy-ethanol, 2-(4-hydroxyphenyl)ethanol, 2-(4-hydroxy-phenyl)-ethanol, tyrosol, 2-4-hydroxyphenylethanol

External chemical identifiers:
CID:CID_10393, ChEMBL:CHEMBL53566, ChEBI:CHEBI:1879, ZINC:ZINC000000164581, FDASRS:1AK4MU3SNX, SureChEMBL:SCHEMBL43838, MolPort-000-139-897

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Chemical structure information

SMILES:
OCCc1ccc(cc1)O

InChI:
InChI=1S/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H2

InChIKey:
YCCILVSKPBXVIP-UHFFFAOYSA-N

DeepSMILES:
OCCcccccc6))O

Functional groups:
CO, cO

Link to spectral information:
MSBNK-GL_Sciences_Inc-GLS00146, MSBNK-Osaka_Univ-OUF00065

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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: Tyrosols and derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylethanoids (C6-C2)

NP Classifier Class: Phenylethanoids

NP-Likeness score: 0.811

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Chemical structure download