Summary

IMPPAT Phytochemical identifier: IMPHY006145

Phytochemical name: p-Cymene

Synonymous chemical names:
*p-cymene, 1-methoxy-4-isopropyl-benzene, cymene, cymene, p-, cymene,p-, cymol, cymol,p-, m,o or p-cymene, p -cymene, p- cymene, p-cimene, p-cymcne, p-cymeme, p-cymene, p-cymene†, p-cymol, p-cyrnene, para-cymene, p‐cymene

External chemical identifiers:
CID:7463, ChEMBL:CHEMBL442915, ChEBI:28768, ZINC:ZINC000000968246, FDASRS:1G1C8T1N7Q, SureChEMBL:SCHEMBL1143, MolPort-003-929-568

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Chemical structure information

SMILES:
Cc1ccc(cc1)C(C)C

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

InChIKey:
HFPZCAJZSCWRBC-UHFFFAOYSA-N

DeepSMILES:
Ccccccc6))CC)C

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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: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Menthane monoterpenoids

NP-Likeness score: -0.717

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Chemical structure download