1-(5-bromothiophen-2-yl)-2-phenylethanone

C12H9BrOS — CID 1491416

IUPAC1-(5-bromothiophen-2-yl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1ccc(Br)s1
InChIInChI=1S/C12H9BrOS/c13-12-7-6-11(15-12)10(14)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyWNNMXAUWNZRTOR-UHFFFAOYSA-N
MW281.17 g/mol
LogP3.94
Rot. Bonds3

About 1-(5-bromothiophen-2-yl)-2-phenylethanone

1-(5-bromothiophen-2-yl)-2-phenylethanone (PubChem CID 1491416) has the molecular formula C12H9BrOS and a molecular weight of 281.17 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-phenylethanone
PubChem CID1491416
Molecular FormulaC12H9BrOS
Molecular Weight281.17 g/mol
Exact Mass279.96
IUPAC Name1-(5-bromothiophen-2-yl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1ccc(Br)s1
InChIInChI=1S/C12H9BrOS/c13-12-7-6-11(15-12)10(14)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyWNNMXAUWNZRTOR-UHFFFAOYSA-N
XLogP3.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.17
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-Phenylthiophen-2-yl)ethan-1-one
CID 4962481
2-Benzoylthiophene
CID 67262
3-Phenyl-1-(thien-2-yl)prop-2-en-1-one
CID 19891
5-Phenylthiophene-2-carbaldehyde
CID 177053
(2E)-3-phenyl-1-(thiophen-2-yl)prop-2-en-1-one
CID 5702653
2-Phenyl-1-(2-thienyl)ethanone
CID 687090
GPR52 antagonist-1
CID 156588927
2-Propen-1-one, 1-phenyl-3-(thienyl)-
CID 269618
(2E)-1-(4-bromophenyl)-3-(thiophen-2-yl)prop-2-en-1-one
CID 5285183
(2E)-1-(4-iodophenyl)-3-(2-thienyl)prop-2-en-1-one
CID 5812723
(E)-1-(4-iodophenyl)-3-thiophen-3-ylprop-2-en-1-one
CID 9291174
1-[5-(4-Acetylphenyl)thiophen-2-yl]-2,2,2-trifluoroethanone
CID 44541231

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-phenylethanone?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-phenylethanone (CID 1491416) is 1-(5-bromothiophen-2-yl)-2-phenylethanone.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-phenylethanone?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-phenylethanone is O=C(Cc1ccccc1)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-phenylethanone?
The InChIKey is WNNMXAUWNZRTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrOS/c13-12-7-6-11(15-12)10(14)8-9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-phenylethanone?
1-(5-bromothiophen-2-yl)-2-phenylethanone has a molecular weight of 281.17 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-phenylethanone is sourced from PubChem (CID 1491416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).