1-(1-benzothiophen-7-yl)-2-(2,4-dichlorophenyl)ethanone

C16H10Cl2OS — CID 81153455

IUPAC1-(1-benzothiophen-7-yl)-2-(2,4-dichlorophenyl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1Cl)c1cccc2ccsc12
InChIInChI=1S/C16H10Cl2OS/c17-12-5-4-11(14(18)9-12)8-15(19)13-3-1-2-10-6-7-20-16(10)13/h1-7,9H,8H2
InChIKeyQEQVSCOIJZRFML-UHFFFAOYSA-N
MW321.23 g/mol
LogP5.63
Rot. Bonds3

About 1-(1-benzothiophen-7-yl)-2-(2,4-dichlorophenyl)ethanone

1-(1-benzothiophen-7-yl)-2-(2,4-dichlorophenyl)ethanone (PubChem CID 81153455) has the molecular formula C16H10Cl2OS and a molecular weight of 321.23 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-2-(2,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-2-(2,4-dichlorophenyl)ethanone
PubChem CID81153455
Molecular FormulaC16H10Cl2OS
Molecular Weight321.23 g/mol
Exact Mass319.98
IUPAC Name1-(1-benzothiophen-7-yl)-2-(2,4-dichlorophenyl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1Cl)c1cccc2ccsc12
InChIInChI=1S/C16H10Cl2OS/c17-12-5-4-11(14(18)9-12)8-15(19)13-3-1-2-10-6-7-20-16(10)13/h1-7,9H,8H2
InChIKeyQEQVSCOIJZRFML-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

1-(1-benzothiophen-7-yl)-2-chloroethanone
CID 130948738
1-benzothiophen-7-yl-(2,6-dichlorophenyl)methanone
CID 115791052
1-benzothiophen-7-yl-(5-chloro-2-methoxyphenyl)methanone
CID 115791072
2-(2,4-dichlorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanone
CID 63411438
2-(2,4-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone
CID 62802262
2-(2,4-dichlorophenyl)-1-(2,3,4-trihydroxyphenyl)ethanone
CID 102033075
1-(1-benzothiophen-7-yl)-2-methylpropan-1-one
CID 81153250
1-benzothiophen-7-yl-(2,5-difluorophenyl)methanone
CID 81153363
1-benzothiophen-7-yl-(3,4-difluorophenyl)methanone
CID 81154298
1-(1-benzothiophen-7-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105122134
1-benzothiophen-7-yl-(3-bromo-4-chlorophenyl)methanone
CID 113336913
1-(2,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 114967195

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-2-(2,4-dichlorophenyl)ethanone?
The IUPAC name of 1-(1-benzothiophen-7-yl)-2-(2,4-dichlorophenyl)ethanone (CID 81153455) is 1-(1-benzothiophen-7-yl)-2-(2,4-dichlorophenyl)ethanone.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-2-(2,4-dichlorophenyl)ethanone?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-2-(2,4-dichlorophenyl)ethanone is O=C(Cc1ccc(Cl)cc1Cl)c1cccc2ccsc12.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-2-(2,4-dichlorophenyl)ethanone?
The InChIKey is QEQVSCOIJZRFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2OS/c17-12-5-4-11(14(18)9-12)8-15(19)13-3-1-2-10-6-7-20-16(10)13/h1-7,9H,8H2.
What are the key properties of 1-(1-benzothiophen-7-yl)-2-(2,4-dichlorophenyl)ethanone?
1-(1-benzothiophen-7-yl)-2-(2,4-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 1-(1-benzothiophen-7-yl)-2-(2,4-dichlorophenyl)ethanone is sourced from PubChem (CID 81153455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).