Summary

IMPPAT Phytochemical identifier: IMPHY005126

Phytochemical name: 4-Nonylphenol

Synonymous chemical names:
4-nonylphenol, nonylphenol, p-nonylphenol

External chemical identifiers:
CID:1752, ChEMBL:CHEMBL153062, ChEBI:34440, ZINC:ZINC000001850497, SureChEMBL:SCHEMBL15887, MolPort-001-792-012

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Chemical structure information

SMILES:
CCCCCCCCCc1ccc(cc1)O

InChI:
InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13,16H,2-9H2,1H3

InChIKey:
IGFHQQFPSIBGKE-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCcccccc6))O

Functional groups:
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: Phenols

ClassyFire Subclass: 1-hydroxy-2-unsubstituted benzenoids

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Aromatic polyketides

NP Classifier Class: Catechols with side chains

NP-Likeness score: 0.501

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Chemical structure download