(5-bromo-4-chlorothiophen-2-yl)-(5-chloro-2-methoxyphenyl)methanone

C12H7BrCl2O2S — CID 80531615

IUPAC(5-bromo-4-chlorothiophen-2-yl)-(5-chloro-2-methoxyphenyl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C12H7BrCl2O2S/c1-17-9-3-2-6(14)4-7(9)11(16)10-5-8(15)12(13)18-10/h2-5H,1H3
InChIKeyIUQSAOQJYLCRPO-UHFFFAOYSA-N
MW366.06 g/mol
LogP5.06
Rot. Bonds3

About (5-bromo-4-chlorothiophen-2-yl)-(5-chloro-2-methoxyphenyl)methanone

(5-bromo-4-chlorothiophen-2-yl)-(5-chloro-2-methoxyphenyl)methanone (PubChem CID 80531615) has the molecular formula C12H7BrCl2O2S and a molecular weight of 366.06 g/mol. Its IUPAC name is (5-bromo-4-chlorothiophen-2-yl)-(5-chloro-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-4-chlorothiophen-2-yl)-(5-chloro-2-methoxyphenyl)methanone
PubChem CID80531615
Molecular FormulaC12H7BrCl2O2S
Molecular Weight366.06 g/mol
Exact Mass363.87
IUPAC Name(5-bromo-4-chlorothiophen-2-yl)-(5-chloro-2-methoxyphenyl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C12H7BrCl2O2S/c1-17-9-3-2-6(14)4-7(9)11(16)10-5-8(15)12(13)18-10/h2-5H,1H3
InChIKeyIUQSAOQJYLCRPO-UHFFFAOYSA-N
XLogP5.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.06
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-methoxyphenyl)-(2,4-dichlorophenyl)methanone
CID 63492522
(5-bromo-4-chlorothiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methanone
CID 80531764
(5-bromo-4-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanone
CID 81126735
(4,5-dibromothiophen-2-yl)-(2,5-dichlorophenyl)methanone
CID 80532703
(5-chloro-2-methoxyphenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 43339476
(3-bromo-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43339859
(5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanone
CID 80531818
(5-bromo-4-chlorothiophen-2-yl)-(5-bromo-2-fluorophenyl)methanone
CID 80531586
(4,5-dibromothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone
CID 80536150
(3-chloro-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43161713
5-chloro-2-methoxybenzoate
CID 6933314
(5-bromo-4-chlorothiophen-2-yl)-(4-methylphenyl)methanone
CID 80531734

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(5-chloro-2-methoxyphenyl)methanone?
The IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(5-chloro-2-methoxyphenyl)methanone (CID 80531615) is (5-bromo-4-chlorothiophen-2-yl)-(5-chloro-2-methoxyphenyl)methanone.
What is the SMILES notation for (5-bromo-4-chlorothiophen-2-yl)-(5-chloro-2-methoxyphenyl)methanone?
The canonical SMILES for (5-bromo-4-chlorothiophen-2-yl)-(5-chloro-2-methoxyphenyl)methanone is COc1ccc(Cl)cc1C(=O)c1cc(Cl)c(Br)s1.
What is the InChIKey of (5-bromo-4-chlorothiophen-2-yl)-(5-chloro-2-methoxyphenyl)methanone?
The InChIKey is IUQSAOQJYLCRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl2O2S/c1-17-9-3-2-6(14)4-7(9)11(16)10-5-8(15)12(13)18-10/h2-5H,1H3.
What are the key properties of (5-bromo-4-chlorothiophen-2-yl)-(5-chloro-2-methoxyphenyl)methanone?
(5-bromo-4-chlorothiophen-2-yl)-(5-chloro-2-methoxyphenyl)methanone has a molecular weight of 366.06 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-chlorothiophen-2-yl)-(5-chloro-2-methoxyphenyl)methanone is sourced from PubChem (CID 80531615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).