1-benzothiophen-3-yl-(5-chloro-2-methoxyphenyl)methanone

C16H11ClO2S — CID 43161865

IUPAC1-benzothiophen-3-yl-(5-chloro-2-methoxyphenyl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)c1csc2ccccc12
InChIInChI=1S/C16H11ClO2S/c1-19-14-7-6-10(17)8-12(14)16(18)13-9-20-15-5-3-2-4-11(13)15/h2-9H,1H3
InChIKeyVFOSLWSFSNQUOR-UHFFFAOYSA-N
MW302.78 g/mol
LogP4.79
Rot. Bonds3

About 1-benzothiophen-3-yl-(5-chloro-2-methoxyphenyl)methanone

1-benzothiophen-3-yl-(5-chloro-2-methoxyphenyl)methanone (PubChem CID 43161865) has the molecular formula C16H11ClO2S and a molecular weight of 302.78 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(5-chloro-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(5-chloro-2-methoxyphenyl)methanone
PubChem CID43161865
Molecular FormulaC16H11ClO2S
Molecular Weight302.78 g/mol
Exact Mass302.02
IUPAC Name1-benzothiophen-3-yl-(5-chloro-2-methoxyphenyl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)c1csc2ccccc12
InChIInChI=1S/C16H11ClO2S/c1-19-14-7-6-10(17)8-12(14)16(18)13-9-20-15-5-3-2-4-11(13)15/h2-9H,1H3
InChIKeyVFOSLWSFSNQUOR-UHFFFAOYSA-N
XLogP4.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-3-yl)-2-(5-chloro-2-methoxyphenyl)ethanone
CID 114968652
(5-chloro-2-methoxyphenyl)-(2,4-dichlorophenyl)methanone
CID 63492522
(2-tert-butylphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 104544982
(5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339633
(5-chloro-2-methoxyphenyl)-(2,3-dichlorophenyl)methanone
CID 86028415
(5-chloro-2-methoxyphenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 43339476
(5-chloro-2-methoxyphenyl)-(2-ethoxyphenyl)methanone
CID 79020316
(2-amino-6-methoxyphenyl)-(1-benzothiophen-3-yl)methanone
CID 81414226
1-benzothiophen-7-yl-(5-chloro-2-methoxyphenyl)methanone
CID 115791072
(5-chloro-2-methoxyphenyl)-(2,3-difluorophenyl)methanone
CID 113425387
(2-chloro-3-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 112694005
5-chloro-2-methoxybenzoate
CID 6933314

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(5-chloro-2-methoxyphenyl)methanone?
The IUPAC name of 1-benzothiophen-3-yl-(5-chloro-2-methoxyphenyl)methanone (CID 43161865) is 1-benzothiophen-3-yl-(5-chloro-2-methoxyphenyl)methanone.
What is the SMILES notation for 1-benzothiophen-3-yl-(5-chloro-2-methoxyphenyl)methanone?
The canonical SMILES for 1-benzothiophen-3-yl-(5-chloro-2-methoxyphenyl)methanone is COc1ccc(Cl)cc1C(=O)c1csc2ccccc12.
What is the InChIKey of 1-benzothiophen-3-yl-(5-chloro-2-methoxyphenyl)methanone?
The InChIKey is VFOSLWSFSNQUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClO2S/c1-19-14-7-6-10(17)8-12(14)16(18)13-9-20-15-5-3-2-4-11(13)15/h2-9H,1H3.
What are the key properties of 1-benzothiophen-3-yl-(5-chloro-2-methoxyphenyl)methanone?
1-benzothiophen-3-yl-(5-chloro-2-methoxyphenyl)methanone has a molecular weight of 302.78 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-(5-chloro-2-methoxyphenyl)methanone is sourced from PubChem (CID 43161865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).