but-1-ene-2,3-diol

C4H8O2 — CID 21275995

IUPACbut-1-ene-2,3-diol
SMILESC=C(O)C(C)O
InChIInChI=1S/C4H8O2/c1-3(5)4(2)6/h4-6H,1H2,2H3
InChIKeyWTLYWPNEAZECAM-UHFFFAOYSA-N
MW88.11 g/mol
LogP0.44
Rot. Bonds1

About but-1-ene-2,3-diol

but-1-ene-2,3-diol (PubChem CID 21275995) has the molecular formula C4H8O2 and a molecular weight of 88.11 g/mol. Its IUPAC name is but-1-ene-2,3-diol.

Molecular Properties

Compound Namebut-1-ene-2,3-diol
PubChem CID21275995
Molecular FormulaC4H8O2
Molecular Weight88.11 g/mol
Exact Mass88.05
IUPAC Namebut-1-ene-2,3-diol
SMILESC=C(O)C(C)O
InChIInChI=1S/C4H8O2/c1-3(5)4(2)6/h4-6H,1H2,2H3
InChIKeyWTLYWPNEAZECAM-UHFFFAOYSA-N
XLogP0.44
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.11
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of but-1-ene-2,3-diol?
The IUPAC name of but-1-ene-2,3-diol (CID 21275995) is but-1-ene-2,3-diol.
What is the SMILES notation for but-1-ene-2,3-diol?
The canonical SMILES for but-1-ene-2,3-diol is C=C(O)C(C)O.
What is the InChIKey of but-1-ene-2,3-diol?
The InChIKey is WTLYWPNEAZECAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2/c1-3(5)4(2)6/h4-6H,1H2,2H3.
What are the key properties of but-1-ene-2,3-diol?
but-1-ene-2,3-diol has a molecular weight of 88.11 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene-2,3-diol is sourced from PubChem (CID 21275995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).