(3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanone

C14H8BrCl3O2 — CID 107998395

IUPAC(3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanone
SMILESCOc1cc(Cl)c(C(=O)c2ccc(Cl)c(Br)c2)cc1Cl
InChIInChI=1S/C14H8BrCl3O2/c1-20-13-6-11(17)8(5-12(13)18)14(19)7-2-3-10(16)9(15)4-7/h2-6H,1H3
InChIKeyIYNZFFGIVMKGEV-UHFFFAOYSA-N
MW394.48 g/mol
LogP5.65
Rot. Bonds3

About (3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanone

(3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanone (PubChem CID 107998395) has the molecular formula C14H8BrCl3O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is (3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanone
PubChem CID107998395
Molecular FormulaC14H8BrCl3O2
Molecular Weight394.48 g/mol
Exact Mass391.88
IUPAC Name(3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanone
SMILESCOc1cc(Cl)c(C(=O)c2ccc(Cl)c(Br)c2)cc1Cl
InChIInChI=1S/C14H8BrCl3O2/c1-20-13-6-11(17)8(5-12(13)18)14(19)7-2-3-10(16)9(15)4-7/h2-6H,1H3
InChIKeyIYNZFFGIVMKGEV-UHFFFAOYSA-N
XLogP5.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.48
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-chlorophenyl)-(2,4-dimethoxyphenyl)methanone
CID 115565794
(3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanone
CID 107949762
(4-amino-3-methoxyphenyl)-(2,5-dichloro-4-methoxyphenyl)methanone
CID 104785092
(4-chloro-3-methoxyphenyl)-(2,4-dibromophenyl)methanone
CID 107944607
(2-chloro-4,5-dimethoxyphenyl)-(4-chloro-3-fluorophenyl)methanone
CID 107998262
(3-bromo-4-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 81045034
(3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanone
CID 82809769
(4-bromo-2,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanone
CID 105056345
(3-bromo-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43339859
(3-bromo-4-chlorophenyl)-(2,3-dimethylphenyl)methanone
CID 115565910
(3-bromo-4-methylphenyl)-(3-chloro-4-methoxyphenyl)methanone
CID 81471530
(4-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 43805125

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanone?
The IUPAC name of (3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanone (CID 107998395) is (3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanone.
What is the SMILES notation for (3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanone?
The canonical SMILES for (3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanone is COc1cc(Cl)c(C(=O)c2ccc(Cl)c(Br)c2)cc1Cl.
What is the InChIKey of (3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanone?
The InChIKey is IYNZFFGIVMKGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl3O2/c1-20-13-6-11(17)8(5-12(13)18)14(19)7-2-3-10(16)9(15)4-7/h2-6H,1H3.
What are the key properties of (3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanone?
(3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanone has a molecular weight of 394.48 g/mol, XLogP of 5.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanone is sourced from PubChem (CID 107998395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).