2-[2-(2,6-dimethylphenyl)phenyl]acetaldehyde

C16H16O — CID 87769884

IUPAC2-[2-(2,6-dimethylphenyl)phenyl]acetaldehyde
SMILESCc1cccc(C)c1-c1ccccc1CC=O
InChIInChI=1S/C16H16O/c1-12-6-5-7-13(2)16(12)15-9-4-3-8-14(15)10-11-17/h3-9,11H,10H2,1-2H3
InChIKeyCWZVDSBPCDWIAG-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.71
Rot. Bonds3

About 2-[2-(2,6-dimethylphenyl)phenyl]acetaldehyde

2-[2-(2,6-dimethylphenyl)phenyl]acetaldehyde (PubChem CID 87769884) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-[2-(2,6-dimethylphenyl)phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[2-(2,6-dimethylphenyl)phenyl]acetaldehyde
PubChem CID87769884
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name2-[2-(2,6-dimethylphenyl)phenyl]acetaldehyde
SMILESCc1cccc(C)c1-c1ccccc1CC=O
InChIInChI=1S/C16H16O/c1-12-6-5-7-13(2)16(12)15-9-4-3-8-14(15)10-11-17/h3-9,11H,10H2,1-2H3
InChIKeyCWZVDSBPCDWIAG-UHFFFAOYSA-N
XLogP3.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[2-(2,6-dimethylphenyl)phenyl]acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dimethylphenyl)phenyl]acetaldehyde?
The IUPAC name of 2-[2-(2,6-dimethylphenyl)phenyl]acetaldehyde (CID 87769884) is 2-[2-(2,6-dimethylphenyl)phenyl]acetaldehyde.
What is the SMILES notation for 2-[2-(2,6-dimethylphenyl)phenyl]acetaldehyde?
The canonical SMILES for 2-[2-(2,6-dimethylphenyl)phenyl]acetaldehyde is Cc1cccc(C)c1-c1ccccc1CC=O.
What is the InChIKey of 2-[2-(2,6-dimethylphenyl)phenyl]acetaldehyde?
The InChIKey is CWZVDSBPCDWIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c1-12-6-5-7-13(2)16(12)15-9-4-3-8-14(15)10-11-17/h3-9,11H,10H2,1-2H3.
What are the key properties of 2-[2-(2,6-dimethylphenyl)phenyl]acetaldehyde?
2-[2-(2,6-dimethylphenyl)phenyl]acetaldehyde has a molecular weight of 224.30 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dimethylphenyl)phenyl]acetaldehyde is sourced from PubChem (CID 87769884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).