Summary

IMPPAT Phytochemical identifier: IMPHY008205

Phytochemical name: (2R)-2-Methoxy-2-(4-hydroxyphenyl)ethanol

Synonymous chemical names:
2-methoxy-2-4-hydroxyphenylethanol

External chemical identifiers:
CID:636818

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Chemical structure information

SMILES:
CO[C@H](c1ccc(cc1)O)CO

InChI:
InChI=1S/C9H12O3/c1-12-9(6-10)7-2-4-8(11)5-3-7/h2-5,9-11H,6H2,1H3/t9-/m0/s1

InChIKey:
UHDDGONMYAQWBV-VIFPVBQESA-N

DeepSMILES:
CO[C@H]cccccc6))O)))))CO

Functional groups:
CO, COC, cO

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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: Benzylethers

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 1.155

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Chemical structure download