2,2-diphenylpropanedial

C15H12O2 — CID 15324204

IUPAC2,2-diphenylpropanedial
SMILESO=CC(C=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H12O2/c16-11-15(12-17,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H
InChIKeyKRJZGRGAJPZPPW-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.37
Rot. Bonds4

About 2,2-diphenylpropanedial

2,2-diphenylpropanedial (PubChem CID 15324204) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2,2-diphenylpropanedial.

Molecular Properties

Compound Name2,2-diphenylpropanedial
PubChem CID15324204
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Name2,2-diphenylpropanedial
SMILESO=CC(C=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H12O2/c16-11-15(12-17,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H
InChIKeyKRJZGRGAJPZPPW-UHFFFAOYSA-N
XLogP2.37
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-phenyl-2,2-bis(sulfanyl)acetaldehyde
CID 90879722
2-[(1-oxo-2-phenylpropan-2-yl)disulfanyl]-2-phenylpropanal
CID 88840285
(2R)-2-amino-2-chloro-2-phenylacetaldehyde;hydrochloride
CID 18642349
4-[chloro(diphenyl)methyl]benzaldehyde
CID 175567585
(2R)-2-hydroxy-3-oxo-2-phenylpropanoyl chloride
CID 142176021
(2R)-2-fluoro-2-phenylbutanal
CID 130623517
2-hydroxy-3-methyl-2-phenylbutanal
CID 12859212
2-methyl-2-phenylbutanal;hydrochloride
CID 141064880
2,2-diphenyl-2-(trifluoromethylsulfanyl)acetaldehyde
CID 162540000
tert-butylbenzene;methyl formate
CID 174802474
2-(2,3,4,5,6-pentamethylphenyl)-2-phenylpropanal
CID 173351548
2-phenyl-2-phenylsulfanylpropanal
CID 11042917

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenylpropanedial?
The IUPAC name of 2,2-diphenylpropanedial (CID 15324204) is 2,2-diphenylpropanedial.
What is the SMILES notation for 2,2-diphenylpropanedial?
The canonical SMILES for 2,2-diphenylpropanedial is O=CC(C=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenylpropanedial?
The InChIKey is KRJZGRGAJPZPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2/c16-11-15(12-17,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H.
What are the key properties of 2,2-diphenylpropanedial?
2,2-diphenylpropanedial has a molecular weight of 224.26 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenylpropanedial is sourced from PubChem (CID 15324204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).