(4-bromo-2-chlorophenyl)-(5-chlorothiophen-2-yl)methanone

C11H5BrCl2OS — CID 43805082

IUPAC(4-bromo-2-chlorophenyl)-(5-chlorothiophen-2-yl)methanone
SMILESO=C(c1ccc(Cl)s1)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H5BrCl2OS/c12-6-1-2-7(8(13)5-6)11(15)9-3-4-10(14)16-9/h1-5H
InChIKeyXRKYAHFGYAOBFH-UHFFFAOYSA-N
MW336.04 g/mol
LogP5.05
Rot. Bonds2

About (4-bromo-2-chlorophenyl)-(5-chlorothiophen-2-yl)methanone

(4-bromo-2-chlorophenyl)-(5-chlorothiophen-2-yl)methanone (PubChem CID 43805082) has the molecular formula C11H5BrCl2OS and a molecular weight of 336.04 g/mol. Its IUPAC name is (4-bromo-2-chlorophenyl)-(5-chlorothiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-bromo-2-chlorophenyl)-(5-chlorothiophen-2-yl)methanone
PubChem CID43805082
Molecular FormulaC11H5BrCl2OS
Molecular Weight336.04 g/mol
Exact Mass333.86
IUPAC Name(4-bromo-2-chlorophenyl)-(5-chlorothiophen-2-yl)methanone
SMILESO=C(c1ccc(Cl)s1)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H5BrCl2OS/c12-6-1-2-7(8(13)5-6)11(15)9-3-4-10(14)16-9/h1-5H
InChIKeyXRKYAHFGYAOBFH-UHFFFAOYSA-N
XLogP5.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.04
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-1H-indol-3-yl)-(5-chlorothiophen-2-yl)methanone
CID 62278577
(4-bromo-2-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 43805092
(2-chloro-5-fluorophenyl)-(5-chlorothiophen-2-yl)methanone
CID 105396607
(4-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43805120
(2-chloro-4-methylphenyl)-(5-methylthiophen-2-yl)methanone
CID 106860754
2-(4-bromo-2-chlorophenoxy)-1-(5-chlorothiophen-2-yl)ethanone
CID 60624989
(4-bromo-2-chlorophenyl)-(5-methylthiophen-3-yl)methanone
CID 114976021
(4-bromo-2-chlorophenyl)-(2-fluorophenyl)methanone
CID 114965969
(4-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone
CID 43805047
(5-bromothiophen-2-yl)-(2-chloro-4,5-dimethylphenyl)methanone
CID 115483522
(4-bromo-2-chlorophenyl)-(4-tert-butylphenyl)methanone
CID 43805057
(4-bromo-5-chloro-2-fluorophenyl)-(4-bromo-2-chlorophenyl)methanone
CID 105398380

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-chlorophenyl)-(5-chlorothiophen-2-yl)methanone?
The IUPAC name of (4-bromo-2-chlorophenyl)-(5-chlorothiophen-2-yl)methanone (CID 43805082) is (4-bromo-2-chlorophenyl)-(5-chlorothiophen-2-yl)methanone.
What is the SMILES notation for (4-bromo-2-chlorophenyl)-(5-chlorothiophen-2-yl)methanone?
The canonical SMILES for (4-bromo-2-chlorophenyl)-(5-chlorothiophen-2-yl)methanone is O=C(c1ccc(Cl)s1)c1ccc(Br)cc1Cl.
What is the InChIKey of (4-bromo-2-chlorophenyl)-(5-chlorothiophen-2-yl)methanone?
The InChIKey is XRKYAHFGYAOBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrCl2OS/c12-6-1-2-7(8(13)5-6)11(15)9-3-4-10(14)16-9/h1-5H.
What are the key properties of (4-bromo-2-chlorophenyl)-(5-chlorothiophen-2-yl)methanone?
(4-bromo-2-chlorophenyl)-(5-chlorothiophen-2-yl)methanone has a molecular weight of 336.04 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-chlorophenyl)-(5-chlorothiophen-2-yl)methanone is sourced from PubChem (CID 43805082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).