2-benzoyl-4-chloro-6-methylbenzonitrile

C15H10ClNO — CID 166441428

IUPAC2-benzoyl-4-chloro-6-methylbenzonitrile
SMILESCc1cc(Cl)cc(C(=O)c2ccccc2)c1C#N
InChIInChI=1S/C15H10ClNO/c1-10-7-12(16)8-13(14(10)9-17)15(18)11-5-3-2-4-6-11/h2-8H,1H3
InChIKeyYUIZRJYTIOCVJZ-UHFFFAOYSA-N
MW255.70 g/mol
LogP3.75
Rot. Bonds2

About 2-benzoyl-4-chloro-6-methylbenzonitrile

2-benzoyl-4-chloro-6-methylbenzonitrile (PubChem CID 166441428) has the molecular formula C15H10ClNO and a molecular weight of 255.70 g/mol. Its IUPAC name is 2-benzoyl-4-chloro-6-methylbenzonitrile.

Molecular Properties

Compound Name2-benzoyl-4-chloro-6-methylbenzonitrile
PubChem CID166441428
Molecular FormulaC15H10ClNO
Molecular Weight255.70 g/mol
Exact Mass255.05
IUPAC Name2-benzoyl-4-chloro-6-methylbenzonitrile
SMILESCc1cc(Cl)cc(C(=O)c2ccccc2)c1C#N
InChIInChI=1S/C15H10ClNO/c1-10-7-12(16)8-13(14(10)9-17)15(18)11-5-3-2-4-6-11/h2-8H,1H3
InChIKeyYUIZRJYTIOCVJZ-UHFFFAOYSA-N
XLogP3.75
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-acetyl-4-chloro-6-methylbenzonitrile
CID 171004146
6,7-dibenzoylnaphthalene-2,3-dicarbonitrile
CID 44556911
3-(3-chlorobenzoyl)benzene-1,2-dicarbonitrile
CID 135034380
[4-(3,5-dichlorophenyl)-3-methylphenyl]-phenylmethanone
CID 145471111
10-benzoylanthracene-9-carbonitrile
CID 71356838
azane;carbonic acid;4-chloro-2-methylbenzonitrile
CID 175133680
3-benzoyl-4-fluorobenzonitrile
CID 83393087
(2-amino-3-bromo-5-chlorophenyl)-phenylmethanone
CID 125473458
ethyl 2,5-dibenzoyl-3,4-bis(4-chlorophenyl)-6-cyanobenzoate
CID 122377320
(5-benzoyl-2,6-dimethyl-3-pyridinyl)-phenylmethanone
CID 827958
(2-methyl-4-nitrophenyl)-phenylmethanone
CID 12846491
2-benzoyl-5-chloro-1-hydroxyindole-3-carbonitrile
CID 19895716

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-4-chloro-6-methylbenzonitrile?
The IUPAC name of 2-benzoyl-4-chloro-6-methylbenzonitrile (CID 166441428) is 2-benzoyl-4-chloro-6-methylbenzonitrile.
What is the SMILES notation for 2-benzoyl-4-chloro-6-methylbenzonitrile?
The canonical SMILES for 2-benzoyl-4-chloro-6-methylbenzonitrile is Cc1cc(Cl)cc(C(=O)c2ccccc2)c1C#N.
What is the InChIKey of 2-benzoyl-4-chloro-6-methylbenzonitrile?
The InChIKey is YUIZRJYTIOCVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO/c1-10-7-12(16)8-13(14(10)9-17)15(18)11-5-3-2-4-6-11/h2-8H,1H3.
What are the key properties of 2-benzoyl-4-chloro-6-methylbenzonitrile?
2-benzoyl-4-chloro-6-methylbenzonitrile has a molecular weight of 255.70 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-4-chloro-6-methylbenzonitrile is sourced from PubChem (CID 166441428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).