Summary

IMPPAT Phytochemical identifier: IMPHY011019

Phytochemical name: 2,6-Dimethylphenol

Synonymous chemical names:
2,6-dimethyl phenol

External chemical identifiers:
CID:11335, ChEMBL:CHEMBL30106, ZINC:ZINC000001577167, FDASRS:I8N0RO87OV, SureChEMBL:SCHEMBL64141, MolPort-001-760-360

---

Chemical structure information

SMILES:
Cc1cccc(c1O)C

InChI:
InChI=1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3

InChIKey:
NXXYKOUNUYWIHA-UHFFFAOYSA-N

DeepSMILES:
Ccccccc6O))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: Phenols

ClassyFire Subclass: Cresols

NP-Likeness score: -0.008

---

Chemical structure download