Summary

IMPPAT Phytochemical identifier: IMPHY017055

Phytochemical name: 1-Naphthaleneethanol

Synonymous chemical names:
1-naphthalene ethanol

External chemical identifiers:
CID:13047, ZINC:ZINC000000967226, SureChEMBL:SCHEMBL27550, MolPort-001-791-420

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Chemical structure information

SMILES:
OCCc1cccc2c1cccc2

InChI:
InChI=1S/C12H12O/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,13H,8-9H2

InChIKey:
RXWNCMHRJCOWDK-UHFFFAOYSA-N

DeepSMILES:
OCCcccccc6cccc6

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2ccccc2c1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Naphthalenes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 0.022

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Chemical structure download