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

C17H16Br2O — CID 139698433

IUPACbis(3-bromo-2,5-dimethylphenyl)methanone
SMILESCc1cc(Br)c(C)c(C(=O)c2cc(C)cc(Br)c2C)c1
InChIInChI=1S/C17H16Br2O/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
InChIKeyYCRUEWQLMCPADO-UHFFFAOYSA-N
MW396.12 g/mol
LogP5.68
Rot. Bonds2

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

bis(3-bromo-2,5-dimethylphenyl)methanone (PubChem CID 139698433) has the molecular formula C17H16Br2O and a molecular weight of 396.12 g/mol. Its IUPAC name is bis(3-bromo-2,5-dimethylphenyl)methanone.

Molecular Properties

Compound Namebis(3-bromo-2,5-dimethylphenyl)methanone
PubChem CID139698433
Molecular FormulaC17H16Br2O
Molecular Weight396.12 g/mol
Exact Mass393.96
IUPAC Namebis(3-bromo-2,5-dimethylphenyl)methanone
SMILESCc1cc(Br)c(C)c(C(=O)c2cc(C)cc(Br)c2C)c1
InChIInChI=1S/C17H16Br2O/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
InChIKeyYCRUEWQLMCPADO-UHFFFAOYSA-N
XLogP5.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.12
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-2,5-dimethylbenzoic acid
CID 59238245
bis[3-bromo-2-(bromomethyl)-5-methylphenyl]methanone
CID 139698646
bis(3-chloro-2,5-dimethylphenyl)methanone
CID 139698512
3-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzamide
CID 143239019
1-bromo-3-fluoro-2,5-dimethylbenzene
CID 20799393
1-(3-bromo-2-iodo-5-methylphenyl)ethanone
CID 131429622
2-amino-3-bromo-5-methylbenzoic acid
CID 2774400
3-bromo-2-chloro-5-methylbenzamide
CID 131538692
3,5-dibromo-2-methylbenzoyl chloride
CID 171002957
(4-bromothiophen-3-yl)-(2,5-dimethylphenyl)methanone
CID 115784127
(2-bromo-5-methylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 81110554
(3-amino-5-bromo-2-methylphenyl)-(4-bromo-2,5-dimethylphenyl)methanone
CID 107874173

Frequently Asked Questions

What is the IUPAC name of bis(3-bromo-2,5-dimethylphenyl)methanone?
The IUPAC name of bis(3-bromo-2,5-dimethylphenyl)methanone (CID 139698433) is bis(3-bromo-2,5-dimethylphenyl)methanone.
What is the SMILES notation for bis(3-bromo-2,5-dimethylphenyl)methanone?
The canonical SMILES for bis(3-bromo-2,5-dimethylphenyl)methanone is Cc1cc(Br)c(C)c(C(=O)c2cc(C)cc(Br)c2C)c1.
What is the InChIKey of bis(3-bromo-2,5-dimethylphenyl)methanone?
The InChIKey is YCRUEWQLMCPADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Br2O/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-bromo-2,5-dimethylphenyl)methanone?
bis(3-bromo-2,5-dimethylphenyl)methanone has a molecular weight of 396.12 g/mol, XLogP of 5.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-bromo-2,5-dimethylphenyl)methanone is sourced from PubChem (CID 139698433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).