Summary

IMPPAT Phytochemical identifier: IMPHY017356

Phytochemical name: 4-Methoxy-2-butyn-1-ol

Synonymous chemical names:
4-methoxy-2-butyn-1-ol

External chemical identifiers:
CID:534055, SureChEMBL:SCHEMBL5534856

---

Chemical structure information

SMILES:
COCC#CCO

InChI:
InChI=1S/C5H8O2/c1-7-5-3-2-4-6/h6H,4-5H2,1H3

InChIKey:
HRWVUBRSPSCZAZ-UHFFFAOYSA-N

DeepSMILES:
COCC#CCO

Functional groups:
CC#CC, CO, COC

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Ethers

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP-Likeness score: 0.701

---

Chemical structure download