1-benzothiophen-7-yl-(4-bromophenyl)methanone

C15H9BrOS — CID 81153042

IUPAC1-benzothiophen-7-yl-(4-bromophenyl)methanone
SMILESO=C(c1ccc(Br)cc1)c1cccc2ccsc12
InChIInChI=1S/C15H9BrOS/c16-12-6-4-10(5-7-12)14(17)13-3-1-2-11-8-9-18-15(11)13/h1-9H
InChIKeyZGCYSEKNDXATAP-UHFFFAOYSA-N
MW317.21 g/mol
LogP4.89
Rot. Bonds2

About 1-benzothiophen-7-yl-(4-bromophenyl)methanone

1-benzothiophen-7-yl-(4-bromophenyl)methanone (PubChem CID 81153042) has the molecular formula C15H9BrOS and a molecular weight of 317.21 g/mol. Its IUPAC name is 1-benzothiophen-7-yl-(4-bromophenyl)methanone.

Molecular Properties

Compound Name1-benzothiophen-7-yl-(4-bromophenyl)methanone
PubChem CID81153042
Molecular FormulaC15H9BrOS
Molecular Weight317.21 g/mol
Exact Mass315.96
IUPAC Name1-benzothiophen-7-yl-(4-bromophenyl)methanone
SMILESO=C(c1ccc(Br)cc1)c1cccc2ccsc12
InChIInChI=1S/C15H9BrOS/c16-12-6-4-10(5-7-12)14(17)13-3-1-2-11-8-9-18-15(11)13/h1-9H
InChIKeyZGCYSEKNDXATAP-UHFFFAOYSA-N
XLogP4.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-benzothiophen-7-yl-(4-bromophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzothiophen-7-yl-(3-bromo-4-chlorophenyl)methanone
CID 113336913
1-benzothiophen-7-yl-(3,4-difluorophenyl)methanone
CID 81154298
1-benzothiophen-7-yl-(3-bromo-4-methoxyphenyl)methanone
CID 115791189
1-benzothiophen-7-yl-(3,4,5-trifluorophenyl)methanone
CID 81153538
1-benzothiophen-7-yl-(2,6-dichlorophenyl)methanone
CID 115791052
[5-(4-bromobenzoyl)naphthalen-1-yl]-(4-bromophenyl)methanone
CID 19777087
1-benzothiophen-7-yl-(1-methylpyrazol-4-yl)methanone
CID 81153366
1-benzothiophen-7-yl-(4-methylthiadiazol-5-yl)methanone
CID 105122113
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-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-(4-bromophenyl)methanone?
The IUPAC name of 1-benzothiophen-7-yl-(4-bromophenyl)methanone (CID 81153042) is 1-benzothiophen-7-yl-(4-bromophenyl)methanone.
What is the SMILES notation for 1-benzothiophen-7-yl-(4-bromophenyl)methanone?
The canonical SMILES for 1-benzothiophen-7-yl-(4-bromophenyl)methanone is O=C(c1ccc(Br)cc1)c1cccc2ccsc12.
What is the InChIKey of 1-benzothiophen-7-yl-(4-bromophenyl)methanone?
The InChIKey is ZGCYSEKNDXATAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrOS/c16-12-6-4-10(5-7-12)14(17)13-3-1-2-11-8-9-18-15(11)13/h1-9H.
What are the key properties of 1-benzothiophen-7-yl-(4-bromophenyl)methanone?
1-benzothiophen-7-yl-(4-bromophenyl)methanone has a molecular weight of 317.21 g/mol, XLogP of 4.89, 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-(4-bromophenyl)methanone is sourced from PubChem (CID 81153042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).