3-(3-chloro-4-methylphenyl)benzaldehyde

C14H11ClO — CID 51401307

IUPAC3-(3-chloro-4-methylphenyl)benzaldehyde
SMILESCc1ccc(-c2cccc(C=O)c2)cc1Cl
InChIInChI=1S/C14H11ClO/c1-10-5-6-13(8-14(10)15)12-4-2-3-11(7-12)9-16/h2-9H,1H3
InChIKeyIONVCUOGOLYMQU-UHFFFAOYSA-N
MW230.69 g/mol
LogP4.13
Rot. Bonds2

About 3-(3-chloro-4-methylphenyl)benzaldehyde

3-(3-chloro-4-methylphenyl)benzaldehyde (PubChem CID 51401307) has the molecular formula C14H11ClO and a molecular weight of 230.69 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)benzaldehyde.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)benzaldehyde
PubChem CID51401307
Molecular FormulaC14H11ClO
Molecular Weight230.69 g/mol
Exact Mass230.05
IUPAC Name3-(3-chloro-4-methylphenyl)benzaldehyde
SMILESCc1ccc(-c2cccc(C=O)c2)cc1Cl
InChIInChI=1S/C14H11ClO/c1-10-5-6-13(8-14(10)15)12-4-2-3-11(7-12)9-16/h2-9H,1H3
InChIKeyIONVCUOGOLYMQU-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 3-(3-chloro-4-methylphenyl)benzaldehyde?
The IUPAC name of 3-(3-chloro-4-methylphenyl)benzaldehyde (CID 51401307) is 3-(3-chloro-4-methylphenyl)benzaldehyde.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)benzaldehyde?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)benzaldehyde is Cc1ccc(-c2cccc(C=O)c2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)benzaldehyde?
The InChIKey is IONVCUOGOLYMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO/c1-10-5-6-13(8-14(10)15)12-4-2-3-11(7-12)9-16/h2-9H,1H3.
What are the key properties of 3-(3-chloro-4-methylphenyl)benzaldehyde?
3-(3-chloro-4-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 3-(3-chloro-4-methylphenyl)benzaldehyde is sourced from PubChem (CID 51401307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).