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

C16H11BrO2S — CID 115791189

IUPAC1-benzothiophen-7-yl-(3-bromo-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cccc3ccsc23)cc1Br
InChIInChI=1S/C16H11BrO2S/c1-19-14-6-5-11(9-13(14)17)15(18)12-4-2-3-10-7-8-20-16(10)12/h2-9H,1H3
InChIKeyVPKCORTTWPZBHF-UHFFFAOYSA-N
MW347.23 g/mol
LogP4.90
Rot. Bonds3

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

1-benzothiophen-7-yl-(3-bromo-4-methoxyphenyl)methanone (PubChem CID 115791189) has the molecular formula C16H11BrO2S and a molecular weight of 347.23 g/mol. Its IUPAC name is 1-benzothiophen-7-yl-(3-bromo-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name1-benzothiophen-7-yl-(3-bromo-4-methoxyphenyl)methanone
PubChem CID115791189
Molecular FormulaC16H11BrO2S
Molecular Weight347.23 g/mol
Exact Mass345.97
IUPAC Name1-benzothiophen-7-yl-(3-bromo-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cccc3ccsc23)cc1Br
InChIInChI=1S/C16H11BrO2S/c1-19-14-6-5-11(9-13(14)17)15(18)12-4-2-3-10-7-8-20-16(10)12/h2-9H,1H3
InChIKeyVPKCORTTWPZBHF-UHFFFAOYSA-N
XLogP4.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.23
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzothiophen-7-yl-(3-bromo-4-chlorophenyl)methanone
CID 113336913
1-benzothiophen-7-yl-(4-bromophenyl)methanone
CID 81153042
1-benzothiophen-7-yl-(5-chloro-2-methoxyphenyl)methanone
CID 115791072
(3-bromo-4-methoxyphenyl)-(2,3-difluorophenyl)methanone
CID 55101814
1-benzothiophen-7-yl-(3,4-difluorophenyl)methanone
CID 81154298
(3-bromo-4-methoxyphenyl)-isoquinolin-5-ylmethanone
CID 114971003
(3-bromo-4-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 43161767
(3-bromo-4-methoxyphenyl)-[2-(difluoromethoxy)phenyl]methanone
CID 43339860
(3-bromo-4-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 115810874
(3-bromo-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43339859
(3-bromo-4-methoxyphenyl)-(2,4-difluorophenyl)methanone
CID 43339880
(3-bromo-4-methoxyphenyl)-(2,3-difluoro-4-methylphenyl)methanone
CID 107512834

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-7-yl-(3-bromo-4-methoxyphenyl)methanone?
The IUPAC name of 1-benzothiophen-7-yl-(3-bromo-4-methoxyphenyl)methanone (CID 115791189) is 1-benzothiophen-7-yl-(3-bromo-4-methoxyphenyl)methanone.
What is the SMILES notation for 1-benzothiophen-7-yl-(3-bromo-4-methoxyphenyl)methanone?
The canonical SMILES for 1-benzothiophen-7-yl-(3-bromo-4-methoxyphenyl)methanone is COc1ccc(C(=O)c2cccc3ccsc23)cc1Br.
What is the InChIKey of 1-benzothiophen-7-yl-(3-bromo-4-methoxyphenyl)methanone?
The InChIKey is VPKCORTTWPZBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrO2S/c1-19-14-6-5-11(9-13(14)17)15(18)12-4-2-3-10-7-8-20-16(10)12/h2-9H,1H3.
What are the key properties of 1-benzothiophen-7-yl-(3-bromo-4-methoxyphenyl)methanone?
1-benzothiophen-7-yl-(3-bromo-4-methoxyphenyl)methanone has a molecular weight of 347.23 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-7-yl-(3-bromo-4-methoxyphenyl)methanone is sourced from PubChem (CID 115791189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).