Summary

IMPPAT Phytochemical identifier: IMPHY017495

Phytochemical name: 2-Methylhexa-3,5-dien-2-OL

Synonymous chemical names:
3,5-hexadien-2-ol, 2-methyl

External chemical identifiers:
CID:566137

---

Chemical structure information

SMILES:
C=CC=CC(O)(C)C

InChI:
InChI=1S/C7H12O/c1-4-5-6-7(2,3)8/h4-6,8H,1H2,2-3H3

InChIKey:
ZWRDKAOHFSUWQC-UHFFFAOYSA-N

DeepSMILES:
C=CC=CCO)C)C

Functional groups:
C=CC=CC, CO

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP-Likeness score: 2.688

---

Chemical structure download