2-(2-hydroxyethenyl)furan-3-carbaldehyde

C7H6O3 — CID 137205870

IUPAC2-(2-hydroxyethenyl)furan-3-carbaldehyde
SMILESO=Cc1ccoc1C=CO
InChIInChI=1S/C7H6O3/c8-3-1-7-6(5-9)2-4-10-7/h1-5,8H
InChIKeyHPWGAQARWMFBGD-UHFFFAOYSA-N
MW138.12 g/mol
LogP1.62
Rot. Bonds2

About 2-(2-hydroxyethenyl)furan-3-carbaldehyde

2-(2-hydroxyethenyl)furan-3-carbaldehyde (PubChem CID 137205870) has the molecular formula C7H6O3 and a molecular weight of 138.12 g/mol. Its IUPAC name is 2-(2-hydroxyethenyl)furan-3-carbaldehyde.

Molecular Properties

Compound Name2-(2-hydroxyethenyl)furan-3-carbaldehyde
PubChem CID137205870
Molecular FormulaC7H6O3
Molecular Weight138.12 g/mol
Exact Mass138.03
IUPAC Name2-(2-hydroxyethenyl)furan-3-carbaldehyde
SMILESO=Cc1ccoc1C=CO
InChIInChI=1S/C7H6O3/c8-3-1-7-6(5-9)2-4-10-7/h1-5,8H
InChIKeyHPWGAQARWMFBGD-UHFFFAOYSA-N
XLogP1.62
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.12
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-hydroxyethenyl)furan-3-carbaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethenyl)furan-3-carbaldehyde?
The IUPAC name of 2-(2-hydroxyethenyl)furan-3-carbaldehyde (CID 137205870) is 2-(2-hydroxyethenyl)furan-3-carbaldehyde.
What is the SMILES notation for 2-(2-hydroxyethenyl)furan-3-carbaldehyde?
The canonical SMILES for 2-(2-hydroxyethenyl)furan-3-carbaldehyde is O=Cc1ccoc1C=CO.
What is the InChIKey of 2-(2-hydroxyethenyl)furan-3-carbaldehyde?
The InChIKey is HPWGAQARWMFBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3/c8-3-1-7-6(5-9)2-4-10-7/h1-5,8H.
What are the key properties of 2-(2-hydroxyethenyl)furan-3-carbaldehyde?
2-(2-hydroxyethenyl)furan-3-carbaldehyde has a molecular weight of 138.12 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethenyl)furan-3-carbaldehyde is sourced from PubChem (CID 137205870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).