4-(2,3-dimethylphenyl)benzaldehyde

C15H14O — CID 53426139

IUPAC4-(2,3-dimethylphenyl)benzaldehyde
SMILESCc1cccc(-c2ccc(C=O)cc2)c1C
InChIInChI=1S/C15H14O/c1-11-4-3-5-15(12(11)2)14-8-6-13(10-16)7-9-14/h3-10H,1-2H3
InChIKeyYEYBHBZBJXFESX-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.78
Rot. Bonds2

About 4-(2,3-dimethylphenyl)benzaldehyde

4-(2,3-dimethylphenyl)benzaldehyde (PubChem CID 53426139) has the molecular formula C15H14O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-(2,3-dimethylphenyl)benzaldehyde.

Molecular Properties

Compound Name4-(2,3-dimethylphenyl)benzaldehyde
PubChem CID53426139
Molecular FormulaC15H14O
Molecular Weight210.28 g/mol
Exact Mass210.10
IUPAC Name4-(2,3-dimethylphenyl)benzaldehyde
SMILESCc1cccc(-c2ccc(C=O)cc2)c1C
InChIInChI=1S/C15H14O/c1-11-4-3-5-15(12(11)2)14-8-6-13(10-16)7-9-14/h3-10H,1-2H3
InChIKeyYEYBHBZBJXFESX-UHFFFAOYSA-N
XLogP3.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.78
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 4-(2,3-dimethylphenyl)benzaldehyde?
The IUPAC name of 4-(2,3-dimethylphenyl)benzaldehyde (CID 53426139) is 4-(2,3-dimethylphenyl)benzaldehyde.
What is the SMILES notation for 4-(2,3-dimethylphenyl)benzaldehyde?
The canonical SMILES for 4-(2,3-dimethylphenyl)benzaldehyde is Cc1cccc(-c2ccc(C=O)cc2)c1C.
What is the InChIKey of 4-(2,3-dimethylphenyl)benzaldehyde?
The InChIKey is YEYBHBZBJXFESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O/c1-11-4-3-5-15(12(11)2)14-8-6-13(10-16)7-9-14/h3-10H,1-2H3.
What are the key properties of 4-(2,3-dimethylphenyl)benzaldehyde?
4-(2,3-dimethylphenyl)benzaldehyde has a molecular weight of 210.28 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylphenyl)benzaldehyde is sourced from PubChem (CID 53426139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).