Summary

IMPPAT Phytochemical identifier: IMPHY009866

Phytochemical name: 2-(4-Methylphenyl)propan-1-ol

Synonymous chemical names:
p-cymen-9-ol, p-cymen-9-ol†, ρ-cymen-9-ol

External chemical identifiers:
CID:95376, SureChEMBL:SCHEMBL4492702, MolPort-008-643-846

---

Chemical structure information

SMILES:
OCC(c1ccc(cc1)C)C

InChI:
InChI=1S/C10H14O/c1-8-3-5-10(6-4-8)9(2)7-11/h3-6,9,11H,7H2,1-2H3

InChIKey:
CLFDIFDNDWRHJF-UHFFFAOYSA-N

DeepSMILES:
OCCcccccc6))C)))))C

Functional groups:
CO

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

---

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: Sesquiterpenoids, Monoterpenoids

NP Classifier Class: Bisabolane sesquiterpenoids, Menthane monoterpenoids

NP-Likeness score: 0.27

---

Chemical structure download