2-hydroxy-3-oxo-2,3-diphenylpropanal

C15H12O3 — CID 87459670

IUPAC2-hydroxy-3-oxo-2,3-diphenylpropanal
SMILESO=CC(O)(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H12O3/c16-11-15(18,13-9-5-2-6-10-13)14(17)12-7-3-1-4-8-12/h1-11,18H
InChIKeyQRPHAPOIXDKLKJ-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.96
Rot. Bonds4

About 2-hydroxy-3-oxo-2,3-diphenylpropanal

2-hydroxy-3-oxo-2,3-diphenylpropanal (PubChem CID 87459670) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-hydroxy-3-oxo-2,3-diphenylpropanal.

Molecular Properties

Compound Name2-hydroxy-3-oxo-2,3-diphenylpropanal
PubChem CID87459670
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name2-hydroxy-3-oxo-2,3-diphenylpropanal
SMILESO=CC(O)(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H12O3/c16-11-15(18,13-9-5-2-6-10-13)14(17)12-7-3-1-4-8-12/h1-11,18H
InChIKeyQRPHAPOIXDKLKJ-UHFFFAOYSA-N
XLogP1.96
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(2R)-2-hydroxy-3-oxo-2-phenylpropanoyl chloride
CID 142176021
2-chloro-1,2,2-triphenylethanone
CID 11301235
(2R,3R)-2-hydroxy-1,2,3-triphenylpent-4-en-1-one
CID 134955660
2-hydroxy-1,2,3-triphenylpent-4-en-1-one
CID 11370873
(2S,3S)-2,3-dibenzoyl-2,3-dihydroxybutanedioic acid;hydrate
CID 130366077
(2S)-3-anilino-2-hydroxy-1,2-diphenylpropan-1-one
CID 154714165
3,4-dibromo-2-hydroxy-1,2-diphenylbut-3-en-1-one
CID 87794711
2-hydroxy-3-oxo-2,3-diphenylpropanenitrile
CID 87277841
2-(4-methylphenyl)-1,2,2-triphenylethanone
CID 122207100
benzoic acid;formic acid
CID 175360098
benzoic acid;formic acid
CID 141027688
2-hydroxy-2-methyl-1-phenylpropan-1-one;sulfane
CID 70599278

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-oxo-2,3-diphenylpropanal?
The IUPAC name of 2-hydroxy-3-oxo-2,3-diphenylpropanal (CID 87459670) is 2-hydroxy-3-oxo-2,3-diphenylpropanal.
What is the SMILES notation for 2-hydroxy-3-oxo-2,3-diphenylpropanal?
The canonical SMILES for 2-hydroxy-3-oxo-2,3-diphenylpropanal is O=CC(O)(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-hydroxy-3-oxo-2,3-diphenylpropanal?
The InChIKey is QRPHAPOIXDKLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c16-11-15(18,13-9-5-2-6-10-13)14(17)12-7-3-1-4-8-12/h1-11,18H.
What are the key properties of 2-hydroxy-3-oxo-2,3-diphenylpropanal?
2-hydroxy-3-oxo-2,3-diphenylpropanal has a molecular weight of 240.26 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-oxo-2,3-diphenylpropanal is sourced from PubChem (CID 87459670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).