3-(furan-2-yl)-2-hydroxy-3-oxopropanal

C7H6O4 — CID 174854524

IUPAC3-(furan-2-yl)-2-hydroxy-3-oxopropanal
SMILESO=CC(O)C(=O)c1ccco1
InChIInChI=1S/C7H6O4/c8-4-5(9)7(10)6-2-1-3-11-6/h1-5,9H
InChIKeyCRTAYDLCIWRNDI-UHFFFAOYSA-N
MW154.12 g/mol
LogP0.02
Rot. Bonds3

About 3-(furan-2-yl)-2-hydroxy-3-oxopropanal

3-(furan-2-yl)-2-hydroxy-3-oxopropanal (PubChem CID 174854524) has the molecular formula C7H6O4 and a molecular weight of 154.12 g/mol. Its IUPAC name is 3-(furan-2-yl)-2-hydroxy-3-oxopropanal.

Molecular Properties

Compound Name3-(furan-2-yl)-2-hydroxy-3-oxopropanal
PubChem CID174854524
Molecular FormulaC7H6O4
Molecular Weight154.12 g/mol
Exact Mass154.03
IUPAC Name3-(furan-2-yl)-2-hydroxy-3-oxopropanal
SMILESO=CC(O)C(=O)c1ccco1
InChIInChI=1S/C7H6O4/c8-4-5(9)7(10)6-2-1-3-11-6/h1-5,9H
InChIKeyCRTAYDLCIWRNDI-UHFFFAOYSA-N
XLogP0.02
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1,4-bis(furan-2-yl)-2,3-dihydroxybutane-1,4-dione
CID 121014452
1,3-bis(furan-2-yl)-2-methylpropane-1,3-dione
CID 15262340
(2R)-2-(18F)fluoro-1-(furan-2-yl)-2-methoxyethanone
CID 162417007
2-ethyl-1-(furan-2-yl)butan-1-one
CID 14709528
(2S)-2-(2-chlorophenyl)-1-(furan-2-yl)-2-hydroxyethanone
CID 125483361
(2R,3R,4R,5R)-1-(furan-2-yl)-2,3,4,5,6-pentahydroxyhexan-1-one
CID 175779096
(2R)-2-(2-chlorophenyl)-1-(furan-2-yl)-2-hydroxyethanone
CID 125483360
2-bromo-1-(furan-2-yl)butan-1-one
CID 45081165
zinc furan-2-carboxylic acid
CID 25022579
furan-2-carboxylic acid;gold
CID 174701575
furan-2-yl(phosphanyl)methanone
CID 151549332
furan-2-carboxylic acid;silver
CID 87285311

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-2-hydroxy-3-oxopropanal?
The IUPAC name of 3-(furan-2-yl)-2-hydroxy-3-oxopropanal (CID 174854524) is 3-(furan-2-yl)-2-hydroxy-3-oxopropanal.
What is the SMILES notation for 3-(furan-2-yl)-2-hydroxy-3-oxopropanal?
The canonical SMILES for 3-(furan-2-yl)-2-hydroxy-3-oxopropanal is O=CC(O)C(=O)c1ccco1.
What is the InChIKey of 3-(furan-2-yl)-2-hydroxy-3-oxopropanal?
The InChIKey is CRTAYDLCIWRNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O4/c8-4-5(9)7(10)6-2-1-3-11-6/h1-5,9H.
What are the key properties of 3-(furan-2-yl)-2-hydroxy-3-oxopropanal?
3-(furan-2-yl)-2-hydroxy-3-oxopropanal has a molecular weight of 154.12 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-2-hydroxy-3-oxopropanal is sourced from PubChem (CID 174854524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).