Summary

IMPPAT Phytochemical identifier: IMPHY017001

Phytochemical name: 2-Phenyl-2-propanol

Synonymous chemical names:
α,α-dimethylbenzyl alcohol, α-cumyl alcohol (syn. 2-phenyl-2-propanol)

External chemical identifiers:
CID:12053, ChEMBL:CHEMBL3185495, ChEBI:131607, ZINC:ZINC000001591819, FDASRS:JE030BGE05, SureChEMBL:SCHEMBL164244, MolPort-001-759-991

---

Chemical structure information

SMILES:
CC(c1ccccc1)(O)C

InChI:
InChI=1S/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3

InChIKey:
BDCFWIDZNLCTMF-UHFFFAOYSA-N

DeepSMILES:
CCcccccc6))))))O)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: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Phenylpropanes

NP-Likeness score: 0.321

---

Chemical structure download