bis(6-chloro-2,3-dimethylphenyl)methanone

C17H16Cl2O — CID 139698463

IUPACbis(6-chloro-2,3-dimethylphenyl)methanone
SMILESCc1ccc(Cl)c(C(=O)c2c(Cl)ccc(C)c2C)c1C
InChIInChI=1S/C17H16Cl2O/c1-9-5-7-13(18)15(11(9)3)17(20)16-12(4)10(2)6-8-14(16)19/h5-8H,1-4H3
InChIKeyUQVLUUJXWNTVTQ-UHFFFAOYSA-N
MW307.22 g/mol
LogP5.46
Rot. Bonds2

About bis(6-chloro-2,3-dimethylphenyl)methanone

bis(6-chloro-2,3-dimethylphenyl)methanone (PubChem CID 139698463) has the molecular formula C17H16Cl2O and a molecular weight of 307.22 g/mol. Its IUPAC name is bis(6-chloro-2,3-dimethylphenyl)methanone.

Molecular Properties

Compound Namebis(6-chloro-2,3-dimethylphenyl)methanone
PubChem CID139698463
Molecular FormulaC17H16Cl2O
Molecular Weight307.22 g/mol
Exact Mass306.06
IUPAC Namebis(6-chloro-2,3-dimethylphenyl)methanone
SMILESCc1ccc(Cl)c(C(=O)c2c(Cl)ccc(C)c2C)c1C
InChIInChI=1S/C17H16Cl2O/c1-9-5-7-13(18)15(11(9)3)17(20)16-12(4)10(2)6-8-14(16)19/h5-8H,1-4H3
InChIKeyUQVLUUJXWNTVTQ-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

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Related Compounds

2,3,6-trimethylbenzoyl chloride
CID 20662008
(2,3,6-trichlorophenyl)-(2,4,6-trimethylphenyl)methanone
CID 172843385
(2,6-dichlorophenyl)-(2,4,6-trimethylphenyl)methanone
CID 43337573
2-chloro-1-(6-chloro-2-fluoro-3-methylphenyl)ethanone
CID 130775413
6-chloro-2-iodo-3-methylbenzamide
CID 171003803
ethane;1-(2,3,6-trimethylphenyl)ethanone
CID 155747845
phenyl-(2,3,6-trimethylphenyl)methanone
CID 14151231
6-chloro-2,3-dimethylbenzenesulfonyl chloride
CID 84701104
(5-bromo-2-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 43378825
(3-bromo-4-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 107998192
1-(6-chloro-2-fluoro-3-methylphenyl)-2,2-difluoroethanone
CID 164894845
aluminum tris(2,3,6-trimethylbenzoate)
CID 22604250

Frequently Asked Questions

What is the IUPAC name of bis(6-chloro-2,3-dimethylphenyl)methanone?
The IUPAC name of bis(6-chloro-2,3-dimethylphenyl)methanone (CID 139698463) is bis(6-chloro-2,3-dimethylphenyl)methanone.
What is the SMILES notation for bis(6-chloro-2,3-dimethylphenyl)methanone?
The canonical SMILES for bis(6-chloro-2,3-dimethylphenyl)methanone is Cc1ccc(Cl)c(C(=O)c2c(Cl)ccc(C)c2C)c1C.
What is the InChIKey of bis(6-chloro-2,3-dimethylphenyl)methanone?
The InChIKey is UQVLUUJXWNTVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2O/c1-9-5-7-13(18)15(11(9)3)17(20)16-12(4)10(2)6-8-14(16)19/h5-8H,1-4H3.
What are the key properties of bis(6-chloro-2,3-dimethylphenyl)methanone?
bis(6-chloro-2,3-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(6-chloro-2,3-dimethylphenyl)methanone is sourced from PubChem (CID 139698463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).