(3-bromo-5-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanone

C14H8Br3ClO — CID 114019744

IUPAC(3-bromo-5-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanone
SMILESCc1cc(Br)c(C(=O)c2cc(Cl)cc(Br)c2)cc1Br
InChIInChI=1S/C14H8Br3ClO/c1-7-2-13(17)11(6-12(7)16)14(19)8-3-9(15)5-10(18)4-8/h2-6H,1H3
InChIKeyHUJBLVYAJFVOMQ-UHFFFAOYSA-N
MW467.38 g/mol
LogP6.17
Rot. Bonds2

About (3-bromo-5-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanone

(3-bromo-5-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanone (PubChem CID 114019744) has the molecular formula C14H8Br3ClO and a molecular weight of 467.38 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanone
PubChem CID114019744
Molecular FormulaC14H8Br3ClO
Molecular Weight467.38 g/mol
Exact Mass463.78
IUPAC Name(3-bromo-5-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanone
SMILESCc1cc(Br)c(C(=O)c2cc(Cl)cc(Br)c2)cc1Br
InChIInChI=1S/C14H8Br3ClO/c1-7-2-13(17)11(6-12(7)16)14(19)8-3-9(15)5-10(18)4-8/h2-6H,1H3
InChIKeyHUJBLVYAJFVOMQ-UHFFFAOYSA-N
XLogP6.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.38
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3-bromo-5-chlorophenyl)-(2,5-dibromo-4-methylphenyl)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-bromo-5-chlorophenyl)-(2-methylphenyl)methanone
CID 107944273
(3-bromophenyl)-(2,5-dibromo-4-methylphenyl)methanone
CID 81467352
1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-dione
CID 139745262
(3-bromo-5-chlorophenyl)-(4-chloro-2-fluorophenyl)methanone
CID 107944691
(3-bromo-5-chlorophenyl)-(2,5-difluorophenyl)methanone
CID 107944439
3-bromo-5-chlorobenzoyl chloride
CID 50998129
(3-bromo-5-chlorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 107949805
(3-bromo-5-chlorophenyl)-(5-methyl-3-pyridinyl)methanone
CID 107944693
(3-bromo-5-chlorophenyl)-(2,5-dichloro-4-ethoxyphenyl)methanone
CID 107950013
(2-bromophenyl)-(2,5-dibromo-4-methylphenyl)methanone
CID 81468585
(2-bromo-5-chloro-4-methylphenyl)-(4-methylphenyl)methanone
CID 134514338
3-bromo-5-chlorobenzamide
CID 53417471

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanone?
The IUPAC name of (3-bromo-5-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanone (CID 114019744) is (3-bromo-5-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanone.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanone?
The canonical SMILES for (3-bromo-5-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanone is Cc1cc(Br)c(C(=O)c2cc(Cl)cc(Br)c2)cc1Br.
What is the InChIKey of (3-bromo-5-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanone?
The InChIKey is HUJBLVYAJFVOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br3ClO/c1-7-2-13(17)11(6-12(7)16)14(19)8-3-9(15)5-10(18)4-8/h2-6H,1H3.
What are the key properties of (3-bromo-5-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanone?
(3-bromo-5-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanone has a molecular weight of 467.38 g/mol, XLogP of 6.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanone is sourced from PubChem (CID 114019744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).