Summary

IMPPAT Phytochemical identifier: IMPHY015197

Phytochemical name: 3-(Naphthalen-1-yl)propan-1-ol

Synonymous chemical names:
1-naphthalene propanol

External chemical identifiers:
CID:14711518, ZINC:ZINC000034349386, SureChEMBL:SCHEMBL80656, MolPort-013-897-768

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Chemical structure information

SMILES:
OCCCc1cccc2c1cccc2

InChI:
InChI=1S/C13H14O/c14-10-4-8-12-7-3-6-11-5-1-2-9-13(11)12/h1-3,5-7,9,14H,4,8,10H2

InChIKey:
LSYAESHKCVOHFC-UHFFFAOYSA-N

DeepSMILES:
OCCCcccccc6cccc6

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: 0.044

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Chemical structure download