(5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanone

C13H10BrClOS — CID 80531818

IUPAC(5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)c2cc(Cl)c(Br)s2)c1
InChIInChI=1S/C13H10BrClOS/c1-7-3-4-8(2)9(5-7)12(16)11-6-10(15)13(14)17-11/h3-6H,1-2H3
InChIKeyXYFPZDKLSLKWJJ-UHFFFAOYSA-N
MW329.65 g/mol
LogP5.01
Rot. Bonds2

About (5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanone

(5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanone (PubChem CID 80531818) has the molecular formula C13H10BrClOS and a molecular weight of 329.65 g/mol. Its IUPAC name is (5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanone
PubChem CID80531818
Molecular FormulaC13H10BrClOS
Molecular Weight329.65 g/mol
Exact Mass327.93
IUPAC Name(5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)c2cc(Cl)c(Br)s2)c1
InChIInChI=1S/C13H10BrClOS/c1-7-3-4-8(2)9(5-7)12(16)11-6-10(15)13(14)17-11/h3-6H,1-2H3
InChIKeyXYFPZDKLSLKWJJ-UHFFFAOYSA-N
XLogP5.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.65
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-4-chlorothiophen-2-yl)-(4-methylphenyl)methanone
CID 80531734
(5-bromo-4-chlorothiophen-2-yl)-(3-chloro-4-methylphenyl)methanone
CID 80531678
(5-bromo-4-chlorothiophen-2-yl)-(2-fluoro-3-methylphenyl)methanone
CID 81479635
(5-bromo-4-chlorothiophen-2-yl)-(3-chloro-5-methylphenyl)methanone
CID 81322994
(5-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone
CID 43378824
(5-bromo-4-chlorothiophen-2-yl)-(5-chloro-2-methoxyphenyl)methanone
CID 80531615
(4-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone
CID 43805047
(3-amino-5-bromo-2-methylphenyl)-(5-bromo-4-chlorothiophen-2-yl)methanone
CID 107874198
(5-bromofuran-2-yl)-(2,5-dimethylphenyl)methanone
CID 43462525
(5-bromo-4-chlorothiophen-2-yl)-(5-bromo-2-fluorophenyl)methanone
CID 80531586
(5-bromo-4-chlorothiophen-2-yl)-(2,4-diaminophenyl)methanone
CID 80532463
(5-bromo-4-methylthiophen-2-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096198

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanone?
The IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanone (CID 80531818) is (5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanone.
What is the SMILES notation for (5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanone?
The canonical SMILES for (5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanone is Cc1ccc(C)c(C(=O)c2cc(Cl)c(Br)s2)c1.
What is the InChIKey of (5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanone?
The InChIKey is XYFPZDKLSLKWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClOS/c1-7-3-4-8(2)9(5-7)12(16)11-6-10(15)13(14)17-11/h3-6H,1-2H3.
What are the key properties of (5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanone?
(5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanone has a molecular weight of 329.65 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanone is sourced from PubChem (CID 80531818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).