(5-bromothiophen-3-yl)-(2-methylphenyl)methanone

C12H9BrOS — CID 105080186

IUPAC(5-bromothiophen-3-yl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1csc(Br)c1
InChIInChI=1S/C12H9BrOS/c1-8-4-2-3-5-10(8)12(14)9-6-11(13)15-7-9/h2-7H,1H3
InChIKeyCOMXLXJPTMLXER-UHFFFAOYSA-N
MW281.17 g/mol
LogP4.05
Rot. Bonds2

About (5-bromothiophen-3-yl)-(2-methylphenyl)methanone

(5-bromothiophen-3-yl)-(2-methylphenyl)methanone (PubChem CID 105080186) has the molecular formula C12H9BrOS and a molecular weight of 281.17 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-(2-methylphenyl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-(2-methylphenyl)methanone
PubChem CID105080186
Molecular FormulaC12H9BrOS
Molecular Weight281.17 g/mol
Exact Mass279.96
IUPAC Name(5-bromothiophen-3-yl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1csc(Br)c1
InChIInChI=1S/C12H9BrOS/c1-8-4-2-3-5-10(8)12(14)9-6-11(13)15-7-9/h2-7H,1H3
InChIKeyCOMXLXJPTMLXER-UHFFFAOYSA-N
XLogP4.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.17
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methylphenyl)-(5-methylthiophen-3-yl)methanone
CID 65099870
(5-bromothiophen-3-yl)-(2-chlorophenyl)methanone
CID 105081417
(5-bromothiophen-3-yl)-(4-methylnaphthalen-1-yl)methanone
CID 107960064
(4-amino-2-methylphenyl)-(5-bromothiophen-3-yl)methanone
CID 107966500
(5-bromothiophen-3-yl)-(2,4,5-trimethylphenyl)methanone
CID 105105721
2-[(5-bromothiophene-3-carbonyl)amino]-3-methylbenzoic acid
CID 43358342
(5-bromothiophen-3-yl)-(1-methylindol-3-yl)methanone
CID 107959895
5-bromo-N-ethyl-N-(2-methylphenyl)thiophene-3-carboxamide
CID 43424615
(5-bromothiophen-3-yl)-(2-methyl-1H-indol-3-yl)methanone
CID 114021021
[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
(3-bromo-5-chlorophenyl)-(2-methylphenyl)methanone
CID 107944273
(5-bromothiophen-3-yl)-(4-methoxy-3-methylphenyl)methanone
CID 107959962

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-(2-methylphenyl)methanone?
The IUPAC name of (5-bromothiophen-3-yl)-(2-methylphenyl)methanone (CID 105080186) is (5-bromothiophen-3-yl)-(2-methylphenyl)methanone.
What is the SMILES notation for (5-bromothiophen-3-yl)-(2-methylphenyl)methanone?
The canonical SMILES for (5-bromothiophen-3-yl)-(2-methylphenyl)methanone is Cc1ccccc1C(=O)c1csc(Br)c1.
What is the InChIKey of (5-bromothiophen-3-yl)-(2-methylphenyl)methanone?
The InChIKey is COMXLXJPTMLXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrOS/c1-8-4-2-3-5-10(8)12(14)9-6-11(13)15-7-9/h2-7H,1H3.
What are the key properties of (5-bromothiophen-3-yl)-(2-methylphenyl)methanone?
(5-bromothiophen-3-yl)-(2-methylphenyl)methanone has a molecular weight of 281.17 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-(2-methylphenyl)methanone is sourced from PubChem (CID 105080186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).