(5-bromothiophen-2-yl)-(2-chloro-4,5-dimethylphenyl)methanone

C13H10BrClOS — CID 115483522

IUPAC(5-bromothiophen-2-yl)-(2-chloro-4,5-dimethylphenyl)methanone
SMILESCc1cc(Cl)c(C(=O)c2ccc(Br)s2)cc1C
InChIInChI=1S/C13H10BrClOS/c1-7-5-9(10(15)6-8(7)2)13(16)11-3-4-12(14)17-11/h3-6H,1-2H3
InChIKeyFWIAWYJKWWMAIE-UHFFFAOYSA-N
MW329.65 g/mol
LogP5.01
Rot. Bonds2

About (5-bromothiophen-2-yl)-(2-chloro-4,5-dimethylphenyl)methanone

(5-bromothiophen-2-yl)-(2-chloro-4,5-dimethylphenyl)methanone (PubChem CID 115483522) has the molecular formula C13H10BrClOS and a molecular weight of 329.65 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(2-chloro-4,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(2-chloro-4,5-dimethylphenyl)methanone
PubChem CID115483522
Molecular FormulaC13H10BrClOS
Molecular Weight329.65 g/mol
Exact Mass327.93
IUPAC Name(5-bromothiophen-2-yl)-(2-chloro-4,5-dimethylphenyl)methanone
SMILESCc1cc(Cl)c(C(=O)c2ccc(Br)s2)cc1C
InChIInChI=1S/C13H10BrClOS/c1-7-5-9(10(15)6-8(7)2)13(16)11-3-4-12(14)17-11/h3-6H,1-2H3
InChIKeyFWIAWYJKWWMAIE-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-bromothiophen-2-yl)-(5-chloro-2-fluorophenyl)methanone
CID 61103389
(4-bromo-5-chloro-2-fluorophenyl)-(5-bromothiophen-2-yl)methanone
CID 105398296
(5-bromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanone
CID 43462600
(4-bromo-2-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone
CID 113319354
(5-bromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methanone
CID 62514263
(2-bromo-5-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone
CID 113319368
(5-bromothiophen-2-yl)-(3-methoxy-4-methylphenyl)methanone
CID 61103194
(5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanone
CID 80531818
(2-chloro-4,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone
CID 115483503
(2-chloro-4-methylphenyl)-(5-methylthiophen-2-yl)methanone
CID 106860754
(5-bromothiophen-2-yl)-(5-chlorothiophen-3-yl)methanone
CID 131162385
(4-bromo-2-chlorophenyl)-(5-chlorothiophen-2-yl)methanone
CID 43805082

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(2-chloro-4,5-dimethylphenyl)methanone?
The IUPAC name of (5-bromothiophen-2-yl)-(2-chloro-4,5-dimethylphenyl)methanone (CID 115483522) is (5-bromothiophen-2-yl)-(2-chloro-4,5-dimethylphenyl)methanone.
What is the SMILES notation for (5-bromothiophen-2-yl)-(2-chloro-4,5-dimethylphenyl)methanone?
The canonical SMILES for (5-bromothiophen-2-yl)-(2-chloro-4,5-dimethylphenyl)methanone is Cc1cc(Cl)c(C(=O)c2ccc(Br)s2)cc1C.
What is the InChIKey of (5-bromothiophen-2-yl)-(2-chloro-4,5-dimethylphenyl)methanone?
The InChIKey is FWIAWYJKWWMAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClOS/c1-7-5-9(10(15)6-8(7)2)13(16)11-3-4-12(14)17-11/h3-6H,1-2H3.
What are the key properties of (5-bromothiophen-2-yl)-(2-chloro-4,5-dimethylphenyl)methanone?
(5-bromothiophen-2-yl)-(2-chloro-4,5-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-bromothiophen-2-yl)-(2-chloro-4,5-dimethylphenyl)methanone is sourced from PubChem (CID 115483522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).