(2-bromophenyl)-(2,5-dibromo-4-methylphenyl)methanone

C14H9Br3O — CID 81468585

IUPAC(2-bromophenyl)-(2,5-dibromo-4-methylphenyl)methanone
SMILESCc1cc(Br)c(C(=O)c2ccccc2Br)cc1Br
InChIInChI=1S/C14H9Br3O/c1-8-6-13(17)10(7-12(8)16)14(18)9-4-2-3-5-11(9)15/h2-7H,1H3
InChIKeyDXPIJICNJZPLKX-UHFFFAOYSA-N
MW432.94 g/mol
LogP5.51
Rot. Bonds2

About (2-bromophenyl)-(2,5-dibromo-4-methylphenyl)methanone

(2-bromophenyl)-(2,5-dibromo-4-methylphenyl)methanone (PubChem CID 81468585) has the molecular formula C14H9Br3O and a molecular weight of 432.94 g/mol. Its IUPAC name is (2-bromophenyl)-(2,5-dibromo-4-methylphenyl)methanone.

Molecular Properties

Compound Name(2-bromophenyl)-(2,5-dibromo-4-methylphenyl)methanone
PubChem CID81468585
Molecular FormulaC14H9Br3O
Molecular Weight432.94 g/mol
Exact Mass429.82
IUPAC Name(2-bromophenyl)-(2,5-dibromo-4-methylphenyl)methanone
SMILESCc1cc(Br)c(C(=O)c2ccccc2Br)cc1Br
InChIInChI=1S/C14H9Br3O/c1-8-6-13(17)10(7-12(8)16)14(18)9-4-2-3-5-11(9)15/h2-7H,1H3
InChIKeyDXPIJICNJZPLKX-UHFFFAOYSA-N
XLogP5.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.94
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,5-dibromo-4-methylphenyl)-(2-ethoxyphenyl)methanone
CID 81467462
(3-bromophenyl)-(2,5-dibromo-4-methylphenyl)methanone
CID 81467352
(2,5-dibromophenyl)-(2-methylphenyl)methanone
CID 114962947
(2-bromo-5-methoxyphenyl)-(2-bromophenyl)methanone
CID 138970439
(2-bromophenyl)-(3-chloro-4-methylphenyl)methanone
CID 24723106
bis[4-(2-bromobenzoyl)phenyl]methanone
CID 22494547
5-bromo-6-(2-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 62380081
(2-bromophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 43379600
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromophenyl)methanone
CID 103394193
1-(2,5-dibromo-4-methylphenyl)-2,2-dimethylpropan-1-one
CID 81468584
(3-bromo-5-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanone
CID 114019744
2-bromo-N-(4-bromo-3-methylphenyl)benzamide
CID 2505928

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(2,5-dibromo-4-methylphenyl)methanone?
The IUPAC name of (2-bromophenyl)-(2,5-dibromo-4-methylphenyl)methanone (CID 81468585) is (2-bromophenyl)-(2,5-dibromo-4-methylphenyl)methanone.
What is the SMILES notation for (2-bromophenyl)-(2,5-dibromo-4-methylphenyl)methanone?
The canonical SMILES for (2-bromophenyl)-(2,5-dibromo-4-methylphenyl)methanone is Cc1cc(Br)c(C(=O)c2ccccc2Br)cc1Br.
What is the InChIKey of (2-bromophenyl)-(2,5-dibromo-4-methylphenyl)methanone?
The InChIKey is DXPIJICNJZPLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br3O/c1-8-6-13(17)10(7-12(8)16)14(18)9-4-2-3-5-11(9)15/h2-7H,1H3.
What are the key properties of (2-bromophenyl)-(2,5-dibromo-4-methylphenyl)methanone?
(2-bromophenyl)-(2,5-dibromo-4-methylphenyl)methanone has a molecular weight of 432.94 g/mol, XLogP of 5.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-(2,5-dibromo-4-methylphenyl)methanone is sourced from PubChem (CID 81468585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).