bis(3-chloro-2,5-dimethylphenyl)methanone

C17H16Cl2O — CID 139698512

IUPACbis(3-chloro-2,5-dimethylphenyl)methanone
SMILESCc1cc(Cl)c(C)c(C(=O)c2cc(C)cc(Cl)c2C)c1
InChIInChI=1S/C17H16Cl2O/c1-9-5-13(11(3)15(18)7-9)17(20)14-6-10(2)8-16(19)12(14)4/h5-8H,1-4H3
InChIKeyKTXRUPKHXRZKJT-UHFFFAOYSA-N
MW307.22 g/mol
LogP5.46
Rot. Bonds2

About bis(3-chloro-2,5-dimethylphenyl)methanone

bis(3-chloro-2,5-dimethylphenyl)methanone (PubChem CID 139698512) has the molecular formula C17H16Cl2O and a molecular weight of 307.22 g/mol. Its IUPAC name is bis(3-chloro-2,5-dimethylphenyl)methanone.

Molecular Properties

Compound Namebis(3-chloro-2,5-dimethylphenyl)methanone
PubChem CID139698512
Molecular FormulaC17H16Cl2O
Molecular Weight307.22 g/mol
Exact Mass306.06
IUPAC Namebis(3-chloro-2,5-dimethylphenyl)methanone
SMILESCc1cc(Cl)c(C)c(C(=O)c2cc(C)cc(Cl)c2C)c1
InChIInChI=1S/C17H16Cl2O/c1-9-5-13(11(3)15(18)7-9)17(20)14-6-10(2)8-16(19)12(14)4/h5-8H,1-4H3
InChIKeyKTXRUPKHXRZKJT-UHFFFAOYSA-N
XLogP5.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.22
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze bis(3-chloro-2,5-dimethylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-2,5-dimethylbenzamide
CID 171008035
bis(3-bromo-2,5-dimethylphenyl)methanone
CID 139698433
5-bromo-3-chloro-2-methylbenzoyl chloride
CID 171032785
(5-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone
CID 43378824
(2-chloro-4-methylphenyl)-(2,4,5-trimethylphenyl)methanone
CID 106864991
3-chloro-2-iodo-5-methylbenzoyl chloride
CID 171003452
1-(3-chloro-2-iodo-5-methylphenyl)ethanone
CID 171003947
(3-chloro-2,5-dimethylphenyl) acetate
CID 175455570
2-(3-chloro-2,5-dimethylphenyl)acetyl chloride
CID 163303747
(4-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone
CID 43805047
2,6-dichloro-4-methylbenzoyl chloride
CID 15065184
3-chloro-2-methoxy-5-methylbenzoyl chloride
CID 50882225

Frequently Asked Questions

What is the IUPAC name of bis(3-chloro-2,5-dimethylphenyl)methanone?
The IUPAC name of bis(3-chloro-2,5-dimethylphenyl)methanone (CID 139698512) is bis(3-chloro-2,5-dimethylphenyl)methanone.
What is the SMILES notation for bis(3-chloro-2,5-dimethylphenyl)methanone?
The canonical SMILES for bis(3-chloro-2,5-dimethylphenyl)methanone is Cc1cc(Cl)c(C)c(C(=O)c2cc(C)cc(Cl)c2C)c1.
What is the InChIKey of bis(3-chloro-2,5-dimethylphenyl)methanone?
The InChIKey is KTXRUPKHXRZKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2O/c1-9-5-13(11(3)15(18)7-9)17(20)14-6-10(2)8-16(19)12(14)4/h5-8H,1-4H3.
What are the key properties of bis(3-chloro-2,5-dimethylphenyl)methanone?
bis(3-chloro-2,5-dimethylphenyl)methanone has a molecular weight of 307.22 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-chloro-2,5-dimethylphenyl)methanone is sourced from PubChem (CID 139698512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).