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

C17H13ClO2S — CID 114968652

IUPAC1-(1-benzothiophen-3-yl)-2-(5-chloro-2-methoxyphenyl)ethanone
SMILESCOc1ccc(Cl)cc1CC(=O)c1csc2ccccc12
InChIInChI=1S/C17H13ClO2S/c1-20-16-7-6-12(18)8-11(16)9-15(19)14-10-21-17-5-3-2-4-13(14)17/h2-8,10H,9H2,1H3
InChIKeyHGYDXAIXVZMZLX-UHFFFAOYSA-N
MW316.81 g/mol
LogP4.99
Rot. Bonds4

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

1-(1-benzothiophen-3-yl)-2-(5-chloro-2-methoxyphenyl)ethanone (PubChem CID 114968652) has the molecular formula C17H13ClO2S and a molecular weight of 316.81 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-2-(5-chloro-2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-2-(5-chloro-2-methoxyphenyl)ethanone
PubChem CID114968652
Molecular FormulaC17H13ClO2S
Molecular Weight316.81 g/mol
Exact Mass316.03
IUPAC Name1-(1-benzothiophen-3-yl)-2-(5-chloro-2-methoxyphenyl)ethanone
SMILESCOc1ccc(Cl)cc1CC(=O)c1csc2ccccc12
InChIInChI=1S/C17H13ClO2S/c1-20-16-7-6-12(18)8-11(16)9-15(19)14-10-21-17-5-3-2-4-13(14)17/h2-8,10H,9H2,1H3
InChIKeyHGYDXAIXVZMZLX-UHFFFAOYSA-N
XLogP4.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzothiophen-3-yl-(5-chloro-2-methoxyphenyl)methanone
CID 43161865
1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanone
CID 63081738
2-(5-chloro-2-methoxyphenyl)-1-(2,3-dichlorophenyl)ethanone
CID 114968572
1-(2-amino-3-methoxyphenyl)-2-(5-chloro-2-methoxyphenyl)ethanone
CID 107469152
1-(2,5-dichlorophenyl)-2-(2-methoxyphenyl)ethanone
CID 43344620
2-(1-benzothiophen-3-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 114965683
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-one
CID 62620437
1-(2-bromo-4-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanone
CID 114968625
2-(5-chloro-2-methoxyphenyl)-1-(4-methyl-3-pyridinyl)ethanone
CID 114877516
2-(1-benzothiophen-3-yl)-1-(2-fluoro-4-methoxyphenyl)ethanone
CID 81299144
1-(2-bromo-5-chlorophenyl)-2-(2-methoxyphenyl)ethanone
CID 114026782
N-[2-(1-benzothiophen-3-yl)-2-oxoethyl]-4-(3,4-dimethoxyphenyl)-4-oxobutanamide
CID 159666218

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-2-(5-chloro-2-methoxyphenyl)ethanone?
The IUPAC name of 1-(1-benzothiophen-3-yl)-2-(5-chloro-2-methoxyphenyl)ethanone (CID 114968652) is 1-(1-benzothiophen-3-yl)-2-(5-chloro-2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-2-(5-chloro-2-methoxyphenyl)ethanone?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-2-(5-chloro-2-methoxyphenyl)ethanone is COc1ccc(Cl)cc1CC(=O)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-2-(5-chloro-2-methoxyphenyl)ethanone?
The InChIKey is HGYDXAIXVZMZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClO2S/c1-20-16-7-6-12(18)8-11(16)9-15(19)14-10-21-17-5-3-2-4-13(14)17/h2-8,10H,9H2,1H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-2-(5-chloro-2-methoxyphenyl)ethanone?
1-(1-benzothiophen-3-yl)-2-(5-chloro-2-methoxyphenyl)ethanone has a molecular weight of 316.81 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-2-(5-chloro-2-methoxyphenyl)ethanone is sourced from PubChem (CID 114968652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).