Summary

IMPPAT Phytochemical identifier: IMPHY016463

Phytochemical name: 5-Benzyloxy-1-pentanol

Synonymous chemical names:
5-phenylmethoxy-1-pentanol

External chemical identifiers:
CID:221194, ZINC:ZINC000001686936, SureChEMBL:SCHEMBL97795, MolPort-001-791-474

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Chemical structure information

SMILES:
OCCCCCOCc1ccccc1

InChI:
InChI=1S/C12H18O2/c13-9-5-2-6-10-14-11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2

InChIKey:
RZVDPWSEPVHOPU-UHFFFAOYSA-N

DeepSMILES:
OCCCCCOCcccccc6

Functional groups:
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: Benzene and substituted derivatives

ClassyFire Subclass: Benzylethers

NP-Likeness score: -0.103

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Chemical structure download