4-(3-methylphenyl)benzaldehyde

C14H12O — CID 2759813

IUPAC4-(3-methylphenyl)benzaldehyde
SMILESCc1cccc(-c2ccc(C=O)cc2)c1
InChIInChI=1S/C14H12O/c1-11-3-2-4-14(9-11)13-7-5-12(10-15)6-8-13/h2-10H,1H3
InChIKeyLUJIYJCRJKYCRK-UHFFFAOYSA-N
MW196.25 g/mol
LogP3.47
Rot. Bonds2

About 4-(3-methylphenyl)benzaldehyde

4-(3-methylphenyl)benzaldehyde (PubChem CID 2759813) has the molecular formula C14H12O and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-(3-methylphenyl)benzaldehyde.

Molecular Properties

Compound Name4-(3-methylphenyl)benzaldehyde
PubChem CID2759813
Molecular FormulaC14H12O
Molecular Weight196.25 g/mol
Exact Mass196.09
IUPAC Name4-(3-methylphenyl)benzaldehyde
SMILESCc1cccc(-c2ccc(C=O)cc2)c1
InChIInChI=1S/C14H12O/c1-11-3-2-4-14(9-11)13-7-5-12(10-15)6-8-13/h2-10H,1H3
InChIKeyLUJIYJCRJKYCRK-UHFFFAOYSA-N
XLogP3.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 53.47
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-(3-methylphenyl)benzaldehyde?
The IUPAC name of 4-(3-methylphenyl)benzaldehyde (CID 2759813) is 4-(3-methylphenyl)benzaldehyde.
What is the SMILES notation for 4-(3-methylphenyl)benzaldehyde?
The canonical SMILES for 4-(3-methylphenyl)benzaldehyde is Cc1cccc(-c2ccc(C=O)cc2)c1.
What is the InChIKey of 4-(3-methylphenyl)benzaldehyde?
The InChIKey is LUJIYJCRJKYCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O/c1-11-3-2-4-14(9-11)13-7-5-12(10-15)6-8-13/h2-10H,1H3.
What are the key properties of 4-(3-methylphenyl)benzaldehyde?
4-(3-methylphenyl)benzaldehyde has a molecular weight of 196.25 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)benzaldehyde is sourced from PubChem (CID 2759813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).