2-(1-benzothiophen-3-yl)-1-(3,4-dichlorophenyl)ethanone

C16H10Cl2OS — CID 81491388

IUPAC2-(1-benzothiophen-3-yl)-1-(3,4-dichlorophenyl)ethanone
SMILESO=C(Cc1csc2ccccc12)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H10Cl2OS/c17-13-6-5-10(7-14(13)18)15(19)8-11-9-20-16-4-2-1-3-12(11)16/h1-7,9H,8H2
InChIKeyCGELGDYCJKIBMI-UHFFFAOYSA-N
MW321.23 g/mol
LogP5.63
Rot. Bonds3

About 2-(1-benzothiophen-3-yl)-1-(3,4-dichlorophenyl)ethanone

2-(1-benzothiophen-3-yl)-1-(3,4-dichlorophenyl)ethanone (PubChem CID 81491388) has the molecular formula C16H10Cl2OS and a molecular weight of 321.23 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-1-(3,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-1-(3,4-dichlorophenyl)ethanone
PubChem CID81491388
Molecular FormulaC16H10Cl2OS
Molecular Weight321.23 g/mol
Exact Mass319.98
IUPAC Name2-(1-benzothiophen-3-yl)-1-(3,4-dichlorophenyl)ethanone
SMILESO=C(Cc1csc2ccccc12)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H10Cl2OS/c17-13-6-5-10(7-14(13)18)15(19)8-11-9-20-16-4-2-1-3-12(11)16/h1-7,9H,8H2
InChIKeyCGELGDYCJKIBMI-UHFFFAOYSA-N
XLogP5.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.23
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzothiophen-3-yl)-1-(3-chloro-4-fluorophenyl)ethanone
CID 63738642
2-(1-benzothiophen-3-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanone
CID 107502507
1-(4-amino-3-methylphenyl)-2-(1-benzothiophen-3-yl)ethanone
CID 116553925
1-[4-(aminomethyl)phenyl]-2-(1-benzothiophen-3-yl)ethanone
CID 116548203
2-(1-benzothiophen-3-yl)-1-(3-methoxyphenyl)ethanone
CID 63739162
2-(1-benzothiophen-3-yl)-1-(2-chloro-4-fluorophenyl)ethanone
CID 63738108
2-(1-benzothiophen-3-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 114965683
2-(1-benzothiophen-3-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 46261254
2-(1-benzothiophen-3-yl)-1-(2-chloro-3-methylphenyl)ethanone
CID 114965661
1-(5-amino-1H-pyrazol-4-yl)-2-(1-benzothiophen-3-yl)ethanone
CID 65360118
2-(1-benzothiophen-3-yl)-1-(2-methyl-3-pyridinyl)ethanone
CID 105085021
2-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)ethanone
CID 63409426

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-1-(3,4-dichlorophenyl)ethanone?
The IUPAC name of 2-(1-benzothiophen-3-yl)-1-(3,4-dichlorophenyl)ethanone (CID 81491388) is 2-(1-benzothiophen-3-yl)-1-(3,4-dichlorophenyl)ethanone.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-1-(3,4-dichlorophenyl)ethanone?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-1-(3,4-dichlorophenyl)ethanone is O=C(Cc1csc2ccccc12)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-1-(3,4-dichlorophenyl)ethanone?
The InChIKey is CGELGDYCJKIBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2OS/c17-13-6-5-10(7-14(13)18)15(19)8-11-9-20-16-4-2-1-3-12(11)16/h1-7,9H,8H2.
What are the key properties of 2-(1-benzothiophen-3-yl)-1-(3,4-dichlorophenyl)ethanone?
2-(1-benzothiophen-3-yl)-1-(3,4-dichlorophenyl)ethanone has a molecular weight of 321.23 g/mol, XLogP of 5.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-1-(3,4-dichlorophenyl)ethanone is sourced from PubChem (CID 81491388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).