4-(4-chloro-2-methylphenyl)benzaldehyde

C14H11ClO — CID 87496493

IUPAC4-(4-chloro-2-methylphenyl)benzaldehyde
SMILESCc1cc(Cl)ccc1-c1ccc(C=O)cc1
InChIInChI=1S/C14H11ClO/c1-10-8-13(15)6-7-14(10)12-4-2-11(9-16)3-5-12/h2-9H,1H3
InChIKeyYXQKENIZFLHLEM-UHFFFAOYSA-N
MW230.69 g/mol
LogP4.13
Rot. Bonds2

About 4-(4-chloro-2-methylphenyl)benzaldehyde

4-(4-chloro-2-methylphenyl)benzaldehyde (PubChem CID 87496493) has the molecular formula C14H11ClO and a molecular weight of 230.69 g/mol. Its IUPAC name is 4-(4-chloro-2-methylphenyl)benzaldehyde.

Molecular Properties

Compound Name4-(4-chloro-2-methylphenyl)benzaldehyde
PubChem CID87496493
Molecular FormulaC14H11ClO
Molecular Weight230.69 g/mol
Exact Mass230.05
IUPAC Name4-(4-chloro-2-methylphenyl)benzaldehyde
SMILESCc1cc(Cl)ccc1-c1ccc(C=O)cc1
InChIInChI=1S/C14H11ClO/c1-10-8-13(15)6-7-14(10)12-4-2-11(9-16)3-5-12/h2-9H,1H3
InChIKeyYXQKENIZFLHLEM-UHFFFAOYSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 54.13
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-(4-chloro-2-methylphenyl)benzaldehyde?
The IUPAC name of 4-(4-chloro-2-methylphenyl)benzaldehyde (CID 87496493) is 4-(4-chloro-2-methylphenyl)benzaldehyde.
What is the SMILES notation for 4-(4-chloro-2-methylphenyl)benzaldehyde?
The canonical SMILES for 4-(4-chloro-2-methylphenyl)benzaldehyde is Cc1cc(Cl)ccc1-c1ccc(C=O)cc1.
What is the InChIKey of 4-(4-chloro-2-methylphenyl)benzaldehyde?
The InChIKey is YXQKENIZFLHLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO/c1-10-8-13(15)6-7-14(10)12-4-2-11(9-16)3-5-12/h2-9H,1H3.
What are the key properties of 4-(4-chloro-2-methylphenyl)benzaldehyde?
4-(4-chloro-2-methylphenyl)benzaldehyde has a molecular weight of 230.69 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylphenyl)benzaldehyde is sourced from PubChem (CID 87496493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).