(5-bromothiophen-3-yl)-(4-ethylphenyl)methanone

C13H11BrOS — CID 105085904

IUPAC(5-bromothiophen-3-yl)-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2csc(Br)c2)cc1
InChIInChI=1S/C13H11BrOS/c1-2-9-3-5-10(6-4-9)13(15)11-7-12(14)16-8-11/h3-8H,2H2,1H3
InChIKeyZAFWPRPHEFRVQX-UHFFFAOYSA-N
MW295.20 g/mol
LogP4.30
Rot. Bonds3

About (5-bromothiophen-3-yl)-(4-ethylphenyl)methanone

(5-bromothiophen-3-yl)-(4-ethylphenyl)methanone (PubChem CID 105085904) has the molecular formula C13H11BrOS and a molecular weight of 295.20 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-(4-ethylphenyl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-(4-ethylphenyl)methanone
PubChem CID105085904
Molecular FormulaC13H11BrOS
Molecular Weight295.20 g/mol
Exact Mass293.97
IUPAC Name(5-bromothiophen-3-yl)-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2csc(Br)c2)cc1
InChIInChI=1S/C13H11BrOS/c1-2-9-3-5-10(6-4-9)13(15)11-7-12(14)16-8-11/h3-8H,2H2,1H3
InChIKeyZAFWPRPHEFRVQX-UHFFFAOYSA-N
XLogP4.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.20
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]thiophene-3-carboxamide
CID 46578078
(5-bromothiophen-3-yl)-(2,4,5-trimethylphenyl)methanone
CID 105105721
(5-bromothiophen-3-yl)-(4-methoxy-3-methylphenyl)methanone
CID 107959962
(3,5-dichlorophenyl)-(4-ethylphenyl)methanone
CID 24723207
1-(5-bromothiophen-3-yl)-2-ethylbutan-1-one
CID 105117350
(4-amino-2-methylphenyl)-(5-bromothiophen-3-yl)methanone
CID 107966500
(5-bromothiophen-3-yl)-(2-methylphenyl)methanone
CID 105080186
(3-chlorothiophen-2-yl)-(4-ethylphenyl)methanone
CID 80529759
(5-bromothiophen-3-yl)-(3-fluoro-5-methylphenyl)methanone
CID 105118815
5-bromo-N-[(4-carbamoylphenyl)methyl]-N-methylthiophene-3-carboxamide
CID 38362636
(4-ethylphenyl)-phenylmethanone;uranium
CID 163515743
5-bromo-N-[(2-ethylphenyl)methyl]thiophene-3-carboxamide
CID 64695293

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-(4-ethylphenyl)methanone?
The IUPAC name of (5-bromothiophen-3-yl)-(4-ethylphenyl)methanone (CID 105085904) is (5-bromothiophen-3-yl)-(4-ethylphenyl)methanone.
What is the SMILES notation for (5-bromothiophen-3-yl)-(4-ethylphenyl)methanone?
The canonical SMILES for (5-bromothiophen-3-yl)-(4-ethylphenyl)methanone is CCc1ccc(C(=O)c2csc(Br)c2)cc1.
What is the InChIKey of (5-bromothiophen-3-yl)-(4-ethylphenyl)methanone?
The InChIKey is ZAFWPRPHEFRVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrOS/c1-2-9-3-5-10(6-4-9)13(15)11-7-12(14)16-8-11/h3-8H,2H2,1H3.
What are the key properties of (5-bromothiophen-3-yl)-(4-ethylphenyl)methanone?
(5-bromothiophen-3-yl)-(4-ethylphenyl)methanone has a molecular weight of 295.20 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-(4-ethylphenyl)methanone is sourced from PubChem (CID 105085904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).