(2,5-dibromophenyl)-(2,3,5,6-tetramethylphenyl)methanone

C17H16Br2O — CID 114368449

IUPAC(2,5-dibromophenyl)-(2,3,5,6-tetramethylphenyl)methanone
SMILESCc1cc(C)c(C)c(C(=O)c2cc(Br)ccc2Br)c1C
InChIInChI=1S/C17H16Br2O/c1-9-7-10(2)12(4)16(11(9)3)17(20)14-8-13(18)5-6-15(14)19/h5-8H,1-4H3
InChIKeyHLBQGWNJVBQFJP-UHFFFAOYSA-N
MW396.12 g/mol
LogP5.68
Rot. Bonds2

About (2,5-dibromophenyl)-(2,3,5,6-tetramethylphenyl)methanone

(2,5-dibromophenyl)-(2,3,5,6-tetramethylphenyl)methanone (PubChem CID 114368449) has the molecular formula C17H16Br2O and a molecular weight of 396.12 g/mol. Its IUPAC name is (2,5-dibromophenyl)-(2,3,5,6-tetramethylphenyl)methanone.

Molecular Properties

Compound Name(2,5-dibromophenyl)-(2,3,5,6-tetramethylphenyl)methanone
PubChem CID114368449
Molecular FormulaC17H16Br2O
Molecular Weight396.12 g/mol
Exact Mass393.96
IUPAC Name(2,5-dibromophenyl)-(2,3,5,6-tetramethylphenyl)methanone
SMILESCc1cc(C)c(C)c(C(=O)c2cc(Br)ccc2Br)c1C
InChIInChI=1S/C17H16Br2O/c1-9-7-10(2)12(4)16(11(9)3)17(20)14-8-13(18)5-6-15(14)19/h5-8H,1-4H3
InChIKeyHLBQGWNJVBQFJP-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

(5-bromo-2-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 43378825
(4-bromo-2-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 115368721
(2,5-dibromophenyl)-(2-methylphenyl)methanone
CID 114962947
(4-bromo-2-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43629619
(2-bromo-5-methylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 81110554
(3-bromo-4-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 107998192
(2,5-dibromophenyl)-(3,5-dimethoxyphenyl)methanone
CID 115785475
1-(2,5-dibromophenyl)-2-(2-methylphenyl)ethanone
CID 114373318
(2,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone
CID 114368506
1-(2,5-dibromophenyl)-3-methylbut-2-en-1-one
CID 115780811
2-chloro-1-(2,5-dibromophenyl)propan-1-one
CID 82050202
(2,4-dibromophenyl)-(2-fluoro-4,6-dimethylphenyl)methanone
CID 107944889

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromophenyl)-(2,3,5,6-tetramethylphenyl)methanone?
The IUPAC name of (2,5-dibromophenyl)-(2,3,5,6-tetramethylphenyl)methanone (CID 114368449) is (2,5-dibromophenyl)-(2,3,5,6-tetramethylphenyl)methanone.
What is the SMILES notation for (2,5-dibromophenyl)-(2,3,5,6-tetramethylphenyl)methanone?
The canonical SMILES for (2,5-dibromophenyl)-(2,3,5,6-tetramethylphenyl)methanone is Cc1cc(C)c(C)c(C(=O)c2cc(Br)ccc2Br)c1C.
What is the InChIKey of (2,5-dibromophenyl)-(2,3,5,6-tetramethylphenyl)methanone?
The InChIKey is HLBQGWNJVBQFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Br2O/c1-9-7-10(2)12(4)16(11(9)3)17(20)14-8-13(18)5-6-15(14)19/h5-8H,1-4H3.
What are the key properties of (2,5-dibromophenyl)-(2,3,5,6-tetramethylphenyl)methanone?
(2,5-dibromophenyl)-(2,3,5,6-tetramethylphenyl)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 (2,5-dibromophenyl)-(2,3,5,6-tetramethylphenyl)methanone is sourced from PubChem (CID 114368449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).