4-(2-chlorobenzoyl)benzaldehyde

C14H9ClO2 — CID 82118162

IUPAC4-(2-chlorobenzoyl)benzaldehyde
SMILESO=Cc1ccc(C(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C14H9ClO2/c15-13-4-2-1-3-12(13)14(17)11-7-5-10(9-16)6-8-11/h1-9H
InChIKeyJOJWFJNVFKEADU-UHFFFAOYSA-N
MW244.68 g/mol
LogP3.38
Rot. Bonds3

About 4-(2-chlorobenzoyl)benzaldehyde

4-(2-chlorobenzoyl)benzaldehyde (PubChem CID 82118162) has the molecular formula C14H9ClO2 and a molecular weight of 244.68 g/mol. Its IUPAC name is 4-(2-chlorobenzoyl)benzaldehyde.

Molecular Properties

Compound Name4-(2-chlorobenzoyl)benzaldehyde
PubChem CID82118162
Molecular FormulaC14H9ClO2
Molecular Weight244.68 g/mol
Exact Mass244.03
IUPAC Name4-(2-chlorobenzoyl)benzaldehyde
SMILESO=Cc1ccc(C(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C14H9ClO2/c15-13-4-2-1-3-12(13)14(17)11-7-5-10(9-16)6-8-11/h1-9H
InChIKeyJOJWFJNVFKEADU-UHFFFAOYSA-N
XLogP3.38
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-chlorophenyl)-phenylmethanone;diphenylmethanone
CID 157388336
4-(4-chlorobenzoyl)benzaldehyde
CID 12925059
4-[2-(4-formylphenyl)-2-oxoacetyl]benzaldehyde
CID 641325
N-[4-(2-chlorobenzoyl)phenyl]methanesulfonamide
CID 43339036
(2-chlorophenyl)-[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724302
5-(2-chlorobenzoyl)-1H-pyrrole-2-carbaldehyde
CID 84726860
[4-(2-aminoanilino)phenyl]-(2-chlorophenyl)methanone
CID 18358121
sodium 2-[4-(2-chlorobenzoyl)phenoxy]acetate
CID 178200902
4-(2-hydroxy-5-methylbenzoyl)benzaldehyde
CID 143547610
(3-chloro-2-fluorophenyl)-(4-fluorophenyl)methanone
CID 64714669
[4-(2-chlorobenzoyl)-3,5-dimethylphenyl]-(2-chlorophenyl)methanone
CID 25138990
(2-amino-3-chlorophenyl)-(4-chlorophenyl)methanone
CID 15634745

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorobenzoyl)benzaldehyde?
The IUPAC name of 4-(2-chlorobenzoyl)benzaldehyde (CID 82118162) is 4-(2-chlorobenzoyl)benzaldehyde.
What is the SMILES notation for 4-(2-chlorobenzoyl)benzaldehyde?
The canonical SMILES for 4-(2-chlorobenzoyl)benzaldehyde is O=Cc1ccc(C(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 4-(2-chlorobenzoyl)benzaldehyde?
The InChIKey is JOJWFJNVFKEADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClO2/c15-13-4-2-1-3-12(13)14(17)11-7-5-10(9-16)6-8-11/h1-9H.
What are the key properties of 4-(2-chlorobenzoyl)benzaldehyde?
4-(2-chlorobenzoyl)benzaldehyde has a molecular weight of 244.68 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorobenzoyl)benzaldehyde is sourced from PubChem (CID 82118162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).