Summary

IMPPAT Phytochemical identifier: IMPHY017871

Phytochemical name: 4-(2,2,4-Trimethylpentyl) phenol

Synonymous chemical names:
4-(2,2,4-trimethylpentyl) phenol

External chemical identifiers:
CID:91750139

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Chemical structure information

SMILES:
CC(CCC(c1ccc(cc1)O)(C)C)C

InChI:
InChI=1S/C14H22O/c1-11(2)9-10-14(3,4)12-5-7-13(15)8-6-12/h5-8,11,15H,9-10H2,1-4H3

InChIKey:
RNWSQHCPJBUHPH-UHFFFAOYSA-N

DeepSMILES:
CCCCCcccccc6))O)))))C)C))))C

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: Benzene and substituted derivatives

ClassyFire Subclass: Phenylpropanes

NP-Likeness score: 0.194

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Chemical structure download