1-benzothiophen-3-yl-(2-bromophenyl)methanone

C15H9BrOS — CID 43161888

IUPAC1-benzothiophen-3-yl-(2-bromophenyl)methanone
SMILESO=C(c1ccccc1Br)c1csc2ccccc12
InChIInChI=1S/C15H9BrOS/c16-13-7-3-1-6-11(13)15(17)12-9-18-14-8-4-2-5-10(12)14/h1-9H
InChIKeyNMZPUTNPJPVKDI-UHFFFAOYSA-N
MW317.21 g/mol
LogP4.89
Rot. Bonds2

About 1-benzothiophen-3-yl-(2-bromophenyl)methanone

1-benzothiophen-3-yl-(2-bromophenyl)methanone (PubChem CID 43161888) has the molecular formula C15H9BrOS and a molecular weight of 317.21 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(2-bromophenyl)methanone.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(2-bromophenyl)methanone
PubChem CID43161888
Molecular FormulaC15H9BrOS
Molecular Weight317.21 g/mol
Exact Mass315.96
IUPAC Name1-benzothiophen-3-yl-(2-bromophenyl)methanone
SMILESO=C(c1ccccc1Br)c1csc2ccccc12
InChIInChI=1S/C15H9BrOS/c16-13-7-3-1-6-11(13)15(17)12-9-18-14-8-4-2-5-10(12)14/h1-9H
InChIKeyNMZPUTNPJPVKDI-UHFFFAOYSA-N
XLogP4.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 114023487
1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanone
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1-benzothiophen-3-yl-(2-methylfuran-3-yl)methanone
CID 43463414
(7-bromo-1-benzothiophen-3-yl)-(2,3-dichlorophenyl)methanone
CID 81141972
S-methyl 1-benzothiophene-3-carbothioate
CID 119090486
1-benzothiophen-3-yl-(5-chloro-2-methoxyphenyl)methanone
CID 43161865
2-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-one
CID 23618738
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-bromobenzamide
CID 119106153
1-benzothiophen-3-yl-(3-fluoro-5-methylphenyl)methanone
CID 113395873
1-(1-benzothiophen-3-yl)-5-bromopentan-1-one
CID 146011096
1-(1-benzothiophen-3-yl)-2-(3-bromo-4-fluorophenyl)ethanone
CID 114964824

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(2-bromophenyl)methanone?
The IUPAC name of 1-benzothiophen-3-yl-(2-bromophenyl)methanone (CID 43161888) is 1-benzothiophen-3-yl-(2-bromophenyl)methanone.
What is the SMILES notation for 1-benzothiophen-3-yl-(2-bromophenyl)methanone?
The canonical SMILES for 1-benzothiophen-3-yl-(2-bromophenyl)methanone is O=C(c1ccccc1Br)c1csc2ccccc12.
What is the InChIKey of 1-benzothiophen-3-yl-(2-bromophenyl)methanone?
The InChIKey is NMZPUTNPJPVKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrOS/c16-13-7-3-1-6-11(13)15(17)12-9-18-14-8-4-2-5-10(12)14/h1-9H.
What are the key properties of 1-benzothiophen-3-yl-(2-bromophenyl)methanone?
1-benzothiophen-3-yl-(2-bromophenyl)methanone has a molecular weight of 317.21 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-(2-bromophenyl)methanone is sourced from PubChem (CID 43161888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).