1-benzothiophen-7-yl-(2,6-dichlorophenyl)methanone

C15H8Cl2OS — CID 115791052

IUPAC1-benzothiophen-7-yl-(2,6-dichlorophenyl)methanone
SMILESO=C(c1c(Cl)cccc1Cl)c1cccc2ccsc12
InChIInChI=1S/C15H8Cl2OS/c16-11-5-2-6-12(17)13(11)14(18)10-4-1-3-9-7-8-19-15(9)10/h1-8H
InChIKeyPTVMAWQHLOVBFC-UHFFFAOYSA-N
MW307.20 g/mol
LogP5.44
Rot. Bonds2

About 1-benzothiophen-7-yl-(2,6-dichlorophenyl)methanone

1-benzothiophen-7-yl-(2,6-dichlorophenyl)methanone (PubChem CID 115791052) has the molecular formula C15H8Cl2OS and a molecular weight of 307.20 g/mol. Its IUPAC name is 1-benzothiophen-7-yl-(2,6-dichlorophenyl)methanone.

Molecular Properties

Compound Name1-benzothiophen-7-yl-(2,6-dichlorophenyl)methanone
PubChem CID115791052
Molecular FormulaC15H8Cl2OS
Molecular Weight307.20 g/mol
Exact Mass305.97
IUPAC Name1-benzothiophen-7-yl-(2,6-dichlorophenyl)methanone
SMILESO=C(c1c(Cl)cccc1Cl)c1cccc2ccsc12
InChIInChI=1S/C15H8Cl2OS/c16-11-5-2-6-12(17)13(11)14(18)10-4-1-3-9-7-8-19-15(9)10/h1-8H
InChIKeyPTVMAWQHLOVBFC-UHFFFAOYSA-N
XLogP5.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.20
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzothiophen-7-yl-(3-bromo-4-chlorophenyl)methanone
CID 113336913
1-benzothiophen-7-yl-(2-fluorophenyl)methanone
CID 81152936
1-benzothiophen-7-yl-(4-bromophenyl)methanone
CID 81153042
1-(1-benzothiophen-7-yl)-2-chloroethanone
CID 130948738
1-benzothiophen-7-yl-(3,4,5-trifluorophenyl)methanone
CID 81153538
1-benzothiophen-7-yl-(5-chloro-2-methoxyphenyl)methanone
CID 115791072
1-benzothiophen-7-yl(1,2,5-thiadiazol-3-yl)methanone
CID 105122061
1-(1-benzothiophen-7-yl)-2-methylpropan-1-one
CID 81153250
1-(1-benzothiophen-7-yl)-2-(2,4-dichlorophenyl)ethanone
CID 81153455
1-benzothiophen-7-yl-(3,4-difluorophenyl)methanone
CID 81154298
1-benzothiophen-7-yl-(2,5-difluorophenyl)methanone
CID 81153363
1-benzothiophen-7-yl(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
CID 105122147

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-7-yl-(2,6-dichlorophenyl)methanone?
The IUPAC name of 1-benzothiophen-7-yl-(2,6-dichlorophenyl)methanone (CID 115791052) is 1-benzothiophen-7-yl-(2,6-dichlorophenyl)methanone.
What is the SMILES notation for 1-benzothiophen-7-yl-(2,6-dichlorophenyl)methanone?
The canonical SMILES for 1-benzothiophen-7-yl-(2,6-dichlorophenyl)methanone is O=C(c1c(Cl)cccc1Cl)c1cccc2ccsc12.
What is the InChIKey of 1-benzothiophen-7-yl-(2,6-dichlorophenyl)methanone?
The InChIKey is PTVMAWQHLOVBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2OS/c16-11-5-2-6-12(17)13(11)14(18)10-4-1-3-9-7-8-19-15(9)10/h1-8H.
What are the key properties of 1-benzothiophen-7-yl-(2,6-dichlorophenyl)methanone?
1-benzothiophen-7-yl-(2,6-dichlorophenyl)methanone has a molecular weight of 307.20 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-7-yl-(2,6-dichlorophenyl)methanone is sourced from PubChem (CID 115791052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).