but-3-en-2-ol

C4H8O — CID 11716

IUPACbut-3-en-2-ol
SMILESC=CC(C)O
InChIInChI=1S/C4H8O/c1-3-4(2)5/h3-5H,1H2,2H3
InChIKeyMKUWVMRNQOOSAT-UHFFFAOYSA-N
MW72.11 g/mol
LogP0.55
Rot. Bonds1

About but-3-en-2-ol

but-3-en-2-ol (PubChem CID 11716) has the molecular formula C4H8O and a molecular weight of 72.11 g/mol. Its IUPAC name is but-3-en-2-ol.

Molecular Properties

Compound Namebut-3-en-2-ol
PubChem CID11716
Molecular FormulaC4H8O
Molecular Weight72.11 g/mol
Exact Mass72.06
IUPAC Namebut-3-en-2-ol
SMILESC=CC(C)O
InChIInChI=1S/C4H8O/c1-3-4(2)5/h3-5H,1H2,2H3
InChIKeyMKUWVMRNQOOSAT-UHFFFAOYSA-N
XLogP0.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50072.11
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze but-3-en-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Hexen-3-Ol
CID 20928
1-Penten-3-Ol
CID 12020
1,4-Pentadien-3-ol
CID 70204
1,5-Hexadien-3-ol
CID 79122
3-Hexene-2,5-diol
CID 5363299
(+-)-3-Penten-2-ol
CID 15289
4-Methyl-1-penten-3-ol
CID 20929
(3E)-3-Penten-2-ol
CID 5366239
(2R)-but-3-en-2-ol
CID 6995534
Hept-3-en-2-ol
CID 5366262
(3R)-1-hexen-3-ol
CID 6992421
(2S,3E)-3-Penten-2-ol
CID 6999919

Frequently Asked Questions

What is the IUPAC name of but-3-en-2-ol?
The IUPAC name of but-3-en-2-ol (CID 11716) is but-3-en-2-ol.
What is the SMILES notation for but-3-en-2-ol?
The canonical SMILES for but-3-en-2-ol is C=CC(C)O.
What is the InChIKey of but-3-en-2-ol?
The InChIKey is MKUWVMRNQOOSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O/c1-3-4(2)5/h3-5H,1H2,2H3.
What are the key properties of but-3-en-2-ol?
but-3-en-2-ol has a molecular weight of 72.11 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-en-2-ol is sourced from PubChem (CID 11716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).