Summary

IMPPAT Phytochemical identifier: IMPHY015393

Phytochemical name: 4-Phenyldodecane

Synonymous chemical names:
4-phenyl dodecane

External chemical identifiers:
CID:17631, SureChEMBL:SCHEMBL3072581

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Chemical structure information

SMILES:
CCCC(c1ccccc1)CCCCCCCC

InChI:
InChI=1S/C18H30/c1-3-5-6-7-8-10-14-17(13-4-2)18-15-11-9-12-16-18/h9,11-12,15-17H,3-8,10,13-14H2,1-2H3

InChIKey:
RHDHXBLZBVAPTL-UHFFFAOYSA-N

DeepSMILES:
CCCCcccccc6))))))CCCCCCCC

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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

NP-Likeness score: 0.499

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Chemical structure download