Molecular Identity
1-Butanol
butan-1-ol
PubChem CID: 263
Butan-1-ol is a primary alcohol that is butane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It it produced in small amounts in humans by the gut microbes. It has a role as a protic solvent, a mouse metabolite and a human metabolite. It is a primary alcohol, a short-chain primary fatty alcohol and an alkyl alcohol.
2D Structure
Properties
C4H10O
Molecular Formula
74.12
Molecular Weight
g/mol
74.0732
Exact Mass
Da
0.9
XLogP
Drug-like (Lipinski: < 5)
20.2
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
1
H-Bond Acceptors
13
Complexity
SMILES
Canonical SMILES
SMILES: CCCCOIsomeric SMILES
SMILES: CCCCOSynonyms(20)
1-butanolButan-1-oln-butanol71-36-3Butyl alcoholn-butyl alcoholPropylcarbinol1-hydroxybutaneButyl hydroxideMethylolpropanePropylmethanolButyric alcoholHemostypn-Butan-1-ol1-Butyl alcohol
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 1-Butanol
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