3-[(E)-2-hydroxyethenyl]furan-2-carbaldehyde

C7H6O3 — CID 136948985

IUPAC3-[(E)-2-hydroxyethenyl]furan-2-carbaldehyde
SMILESO=Cc1occc1/C=C/O
InChIInChI=1S/C7H6O3/c8-3-1-6-2-4-10-7(6)5-9/h1-5,8H/b3-1+
InChIKeyGWGCRHNPNDCDRB-HNQUOIGGSA-N
MW138.12 g/mol
LogP1.62
Rot. Bonds2

About 3-[(E)-2-hydroxyethenyl]furan-2-carbaldehyde

3-[(E)-2-hydroxyethenyl]furan-2-carbaldehyde (PubChem CID 136948985) has the molecular formula C7H6O3 and a molecular weight of 138.12 g/mol. Its IUPAC name is 3-[(E)-2-hydroxyethenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name3-[(E)-2-hydroxyethenyl]furan-2-carbaldehyde
PubChem CID136948985
Molecular FormulaC7H6O3
Molecular Weight138.12 g/mol
Exact Mass138.03
IUPAC Name3-[(E)-2-hydroxyethenyl]furan-2-carbaldehyde
SMILESO=Cc1occc1/C=C/O
InChIInChI=1S/C7H6O3/c8-3-1-6-2-4-10-7(6)5-9/h1-5,8H/b3-1+
InChIKeyGWGCRHNPNDCDRB-HNQUOIGGSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-hydroxyethenyl]furan-2-carbaldehyde?
The IUPAC name of 3-[(E)-2-hydroxyethenyl]furan-2-carbaldehyde (CID 136948985) is 3-[(E)-2-hydroxyethenyl]furan-2-carbaldehyde.
What is the SMILES notation for 3-[(E)-2-hydroxyethenyl]furan-2-carbaldehyde?
The canonical SMILES for 3-[(E)-2-hydroxyethenyl]furan-2-carbaldehyde is O=Cc1occc1/C=C/O.
What is the InChIKey of 3-[(E)-2-hydroxyethenyl]furan-2-carbaldehyde?
The InChIKey is GWGCRHNPNDCDRB-HNQUOIGGSA-N. The full InChI is InChI=1S/C7H6O3/c8-3-1-6-2-4-10-7(6)5-9/h1-5,8H/b3-1+.
What are the key properties of 3-[(E)-2-hydroxyethenyl]furan-2-carbaldehyde?
3-[(E)-2-hydroxyethenyl]furan-2-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 3-[(E)-2-hydroxyethenyl]furan-2-carbaldehyde is sourced from PubChem (CID 136948985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).