2-(4-phenylphenyl)acetaldehyde

C14H12O — CID 3491292

IUPAC2-(4-phenylphenyl)acetaldehyde
SMILESO=CCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C14H12O/c15-11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,11H,10H2
InChIKeyOIDMZCMVYZLDLI-UHFFFAOYSA-N
MW196.25 g/mol
LogP3.10
Rot. Bonds3

About 2-(4-phenylphenyl)acetaldehyde

2-(4-phenylphenyl)acetaldehyde (PubChem CID 3491292) has the molecular formula C14H12O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(4-phenylphenyl)acetaldehyde.

Molecular Properties

Compound Name2-(4-phenylphenyl)acetaldehyde
PubChem CID3491292
Molecular FormulaC14H12O
Molecular Weight196.25 g/mol
Exact Mass196.09
IUPAC Name2-(4-phenylphenyl)acetaldehyde
SMILESO=CCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C14H12O/c15-11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,11H,10H2
InChIKeyOIDMZCMVYZLDLI-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)acetaldehyde?
The IUPAC name of 2-(4-phenylphenyl)acetaldehyde (CID 3491292) is 2-(4-phenylphenyl)acetaldehyde.
What is the SMILES notation for 2-(4-phenylphenyl)acetaldehyde?
The canonical SMILES for 2-(4-phenylphenyl)acetaldehyde is O=CCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(4-phenylphenyl)acetaldehyde?
The InChIKey is OIDMZCMVYZLDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O/c15-11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,11H,10H2.
What are the key properties of 2-(4-phenylphenyl)acetaldehyde?
2-(4-phenylphenyl)acetaldehyde has a molecular weight of 196.25 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)acetaldehyde is sourced from PubChem (CID 3491292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).