Summary

IMPPAT Phytochemical identifier: IMPHY016157

Phytochemical name: 1,1-Diphenylpropane

Synonymous chemical names:
1,1-diphenylpropane

External chemical identifiers:
CID:73726, ZINC:ZINC000002004059, SureChEMBL:SCHEMBL54346

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Chemical structure information

SMILES:
CCC(c1ccccc1)c1ccccc1

InChI:
InChI=1S/C15H16/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3

InChIKey:
BUZMJVBOGDBMGI-UHFFFAOYSA-N

DeepSMILES:
CCCcccccc6))))))cccccc6

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(Cc2ccccc2)cc1

Scaffold Graph/Node level:
C1CCC(CC2CCCCC2)CC1

Scaffold Graph level:
C1CCC(CC2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Diphenylmethanes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: -0.196

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Chemical structure download