1-benzothiophen-7-yl-(3-bromo-4-chlorophenyl)methanone

C15H8BrClOS — CID 113336913

IUPAC1-benzothiophen-7-yl-(3-bromo-4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)c(Br)c1)c1cccc2ccsc12
InChIInChI=1S/C15H8BrClOS/c16-12-8-10(4-5-13(12)17)14(18)11-3-1-2-9-6-7-19-15(9)11/h1-8H
InChIKeyNTVZLQVPHWIYII-UHFFFAOYSA-N
MW351.65 g/mol
LogP5.55
Rot. Bonds2

About 1-benzothiophen-7-yl-(3-bromo-4-chlorophenyl)methanone

1-benzothiophen-7-yl-(3-bromo-4-chlorophenyl)methanone (PubChem CID 113336913) has the molecular formula C15H8BrClOS and a molecular weight of 351.65 g/mol. Its IUPAC name is 1-benzothiophen-7-yl-(3-bromo-4-chlorophenyl)methanone.

Molecular Properties

Compound Name1-benzothiophen-7-yl-(3-bromo-4-chlorophenyl)methanone
PubChem CID113336913
Molecular FormulaC15H8BrClOS
Molecular Weight351.65 g/mol
Exact Mass349.92
IUPAC Name1-benzothiophen-7-yl-(3-bromo-4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)c(Br)c1)c1cccc2ccsc12
InChIInChI=1S/C15H8BrClOS/c16-12-8-10(4-5-13(12)17)14(18)11-3-1-2-9-6-7-19-15(9)11/h1-8H
InChIKeyNTVZLQVPHWIYII-UHFFFAOYSA-N
XLogP5.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.65
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzothiophen-7-yl-(4-bromophenyl)methanone
CID 81153042
1-benzothiophen-7-yl-(3-bromo-4-methoxyphenyl)methanone
CID 115791189
1-benzothiophen-7-yl-(3,4-difluorophenyl)methanone
CID 81154298
1-benzothiophen-7-yl-(2,6-dichlorophenyl)methanone
CID 115791052
1-benzothiophen-7-yl-(3,4,5-trifluorophenyl)methanone
CID 81153538
(3-bromo-4-chlorophenyl)-(3-bromothiophen-2-yl)methanone
CID 115566211
(3-bromo-4-chlorophenyl)-(2,3-dimethylphenyl)methanone
CID 115565910
(3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanone
CID 107998395
1-benzothiophen-7-yl-(2-fluorophenyl)methanone
CID 81152936
1-benzothiophen-7-yl-(5-chloro-2-methoxyphenyl)methanone
CID 115791072
1-(1-benzothiophen-7-yl)-2-chloroethanone
CID 130948738
1-benzothiophen-7-yl-(2,5-difluorophenyl)methanone
CID 81153363

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-7-yl-(3-bromo-4-chlorophenyl)methanone?
The IUPAC name of 1-benzothiophen-7-yl-(3-bromo-4-chlorophenyl)methanone (CID 113336913) is 1-benzothiophen-7-yl-(3-bromo-4-chlorophenyl)methanone.
What is the SMILES notation for 1-benzothiophen-7-yl-(3-bromo-4-chlorophenyl)methanone?
The canonical SMILES for 1-benzothiophen-7-yl-(3-bromo-4-chlorophenyl)methanone is O=C(c1ccc(Cl)c(Br)c1)c1cccc2ccsc12.
What is the InChIKey of 1-benzothiophen-7-yl-(3-bromo-4-chlorophenyl)methanone?
The InChIKey is NTVZLQVPHWIYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrClOS/c16-12-8-10(4-5-13(12)17)14(18)11-3-1-2-9-6-7-19-15(9)11/h1-8H.
What are the key properties of 1-benzothiophen-7-yl-(3-bromo-4-chlorophenyl)methanone?
1-benzothiophen-7-yl-(3-bromo-4-chlorophenyl)methanone has a molecular weight of 351.65 g/mol, XLogP of 5.55, 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-(3-bromo-4-chlorophenyl)methanone is sourced from PubChem (CID 113336913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).