but-2-en-1-ol

C4H8O — CID 20024

IUPACbut-2-en-1-ol
SMILESCC=CCO
InChIInChI=1S/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3
InChIKeyWCASXYBKJHWFMY-UHFFFAOYSA-N
MW72.11 g/mol
LogP0.55
Rot. Bonds1

About but-2-en-1-ol

but-2-en-1-ol (PubChem CID 20024) has the molecular formula C4H8O and a molecular weight of 72.11 g/mol. Its IUPAC name is but-2-en-1-ol.

Molecular Properties

Compound Namebut-2-en-1-ol
PubChem CID20024
Molecular FormulaC4H8O
Molecular Weight72.11 g/mol
Exact Mass72.06
IUPAC Namebut-2-en-1-ol
SMILESCC=CCO
InChIInChI=1S/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3
InChIKeyWCASXYBKJHWFMY-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'}

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Frequently Asked Questions

What is the IUPAC name of but-2-en-1-ol?
The IUPAC name of but-2-en-1-ol (CID 20024) is but-2-en-1-ol.
What is the SMILES notation for but-2-en-1-ol?
The canonical SMILES for but-2-en-1-ol is CC=CCO.
What is the InChIKey of but-2-en-1-ol?
The InChIKey is WCASXYBKJHWFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3.
What are the key properties of but-2-en-1-ol?
but-2-en-1-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-2-en-1-ol is sourced from PubChem (CID 20024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).