3-(2,3-dihydroxypropyl)furan-2-carbaldehyde

C8H10O4 — CID 150623076

IUPAC3-(2,3-dihydroxypropyl)furan-2-carbaldehyde
SMILESO=Cc1occc1CC(O)CO
InChIInChI=1S/C8H10O4/c9-4-7(11)3-6-1-2-12-8(6)5-10/h1-2,5,7,9,11H,3-4H2
InChIKeyIWHYKCWSVOKODT-UHFFFAOYSA-N
MW170.16 g/mol
LogP-0.01
Rot. Bonds4

About 3-(2,3-dihydroxypropyl)furan-2-carbaldehyde

3-(2,3-dihydroxypropyl)furan-2-carbaldehyde (PubChem CID 150623076) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 3-(2,3-dihydroxypropyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name3-(2,3-dihydroxypropyl)furan-2-carbaldehyde
PubChem CID150623076
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name3-(2,3-dihydroxypropyl)furan-2-carbaldehyde
SMILESO=Cc1occc1CC(O)CO
InChIInChI=1S/C8H10O4/c9-4-7(11)3-6-1-2-12-8(6)5-10/h1-2,5,7,9,11H,3-4H2
InChIKeyIWHYKCWSVOKODT-UHFFFAOYSA-N
XLogP-0.01
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethylfuran-2-carbaldehyde;hydrate
CID 87415934
acetic acid;3-(hydroxymethyl)furan-2-carbaldehyde
CID 126623280
3-(1,2,3-trihydroxypropyl)furan-2-carbaldehyde
CID 170817306
furan-2,3-dicarboxylic acid;3-(hydroxymethyl)furan-2-carbaldehyde
CID 174855873
3-dodecylfuran-2-carbaldehyde
CID 54442257
3-(pyridin-4-ylmethyl)furan-2-carbaldehyde
CID 106886514
3-(phenoxymethyl)furan-2-carbaldehyde
CID 175986612
3-(4-bromo-1,2-dihydroxybutyl)furan-2-carbaldehyde
CID 171891436
3-silylfuran-2-carbaldehyde
CID 175804543
2-(2,3-dihydroxypropyl)benzamide
CID 163691147
3-(3-sulfanylprop-1-enyl)furan-2-carbaldehyde
CID 169454559
3-[(E)-2-hydroxyethenyl]furan-2-carbaldehyde
CID 136948985

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroxypropyl)furan-2-carbaldehyde?
The IUPAC name of 3-(2,3-dihydroxypropyl)furan-2-carbaldehyde (CID 150623076) is 3-(2,3-dihydroxypropyl)furan-2-carbaldehyde.
What is the SMILES notation for 3-(2,3-dihydroxypropyl)furan-2-carbaldehyde?
The canonical SMILES for 3-(2,3-dihydroxypropyl)furan-2-carbaldehyde is O=Cc1occc1CC(O)CO.
What is the InChIKey of 3-(2,3-dihydroxypropyl)furan-2-carbaldehyde?
The InChIKey is IWHYKCWSVOKODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c9-4-7(11)3-6-1-2-12-8(6)5-10/h1-2,5,7,9,11H,3-4H2.
What are the key properties of 3-(2,3-dihydroxypropyl)furan-2-carbaldehyde?
3-(2,3-dihydroxypropyl)furan-2-carbaldehyde has a molecular weight of 170.16 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroxypropyl)furan-2-carbaldehyde is sourced from PubChem (CID 150623076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).