Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017937

Phytochemical name: 1-Methyl-2-propylbenzene

Synonymous chemical names:
1-Methyl-2-propylbenzene

External chemical identifiers:
CID:CID_14091, FDASRS:SC345TN8SW, Molport-006-112-890

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Chemical structure information

SMILES:
CCCc1ccccc1C

InChI:
InChI=1S/C10H14/c1-3-6-10-8-5-4-7-9(10)2/h4-5,7-8H,3,6H2,1-2H3

InChIKey:
YQZBFMJOASEONC-UHFFFAOYSA-N

DeepSMILES:
CCCcccccc6C

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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: -0.683

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Chemical structure download