2,2-diphenylacetaldehyde

C14H12O — CID 13696

IUPAC2,2-diphenylacetaldehyde
SMILESO=CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12O/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,14H
InChIKeyHLLGFGBLKOIZOM-UHFFFAOYSA-N
MW196.25 g/mol
LogP3.02
Rot. Bonds3

About 2,2-diphenylacetaldehyde

2,2-diphenylacetaldehyde (PubChem CID 13696) has the molecular formula C14H12O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2,2-diphenylacetaldehyde.

Molecular Properties

Compound Name2,2-diphenylacetaldehyde
PubChem CID13696
Molecular FormulaC14H12O
Molecular Weight196.25 g/mol
Exact Mass196.09
IUPAC Name2,2-diphenylacetaldehyde
SMILESO=CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12O/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,14H
InChIKeyHLLGFGBLKOIZOM-UHFFFAOYSA-N
XLogP3.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Phenylacetaldehyde
CID 998
Lilial
CID 228987
Cyclamen aldehyde
CID 517827
Benzenepropanal
CID 7707
Cuminaldehyde
CID 326
2-Phenylpropanal
CID 7146
Diphenylcyclopropenone
CID 65057
1,3-Diphenyl-2-propanone
CID 7593
2-Methyl-3-(p-tolyl)propanal
CID 95594
2-(p-Tolyl)propanal
CID 60990
Bourgeonal
CID 64832
3-Phenylbutanal
CID 85979

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenylacetaldehyde?
The IUPAC name of 2,2-diphenylacetaldehyde (CID 13696) is 2,2-diphenylacetaldehyde.
What is the SMILES notation for 2,2-diphenylacetaldehyde?
The canonical SMILES for 2,2-diphenylacetaldehyde is O=CC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenylacetaldehyde?
The InChIKey is HLLGFGBLKOIZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,14H.
What are the key properties of 2,2-diphenylacetaldehyde?
2,2-diphenylacetaldehyde has a molecular weight of 196.25 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenylacetaldehyde is sourced from PubChem (CID 13696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).