Summary

IMPPAT Phytochemical identifier: IMPHY017032

Phytochemical name: 1,4-Dimethyl-2-(3-methylbenzyl)benzene

Synonymous chemical names:
2,3,5-trimethyldiphenylmethane

External chemical identifiers:
CID:12546953, SureChEMBL:SCHEMBL8094710

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Chemical structure information

SMILES:
Cc1cccc(c1)Cc1cc(C)ccc1C

InChI:
InChI=1S/C16H18/c1-12-5-4-6-15(9-12)11-16-10-13(2)7-8-14(16)3/h4-10H,11H2,1-3H3

InChIKey:
YTJPRANBPZEJJR-UHFFFAOYSA-N

DeepSMILES:
Ccccccc6)CcccC)ccc6C

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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-Likeness score: -0.731

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Chemical structure download