1-(7-bromo-1-benzothiophen-3-yl)-2-(4-bromophenyl)ethanone

C16H10Br2OS — CID 81141825

IUPAC1-(7-bromo-1-benzothiophen-3-yl)-2-(4-bromophenyl)ethanone
SMILESO=C(Cc1ccc(Br)cc1)c1csc2c(Br)cccc12
InChIInChI=1S/C16H10Br2OS/c17-11-6-4-10(5-7-11)8-15(19)13-9-20-16-12(13)2-1-3-14(16)18/h1-7,9H,8H2
InChIKeyLBIVWBPAIOCXAY-UHFFFAOYSA-N
MW410.13 g/mol
LogP5.85
Rot. Bonds3

About 1-(7-bromo-1-benzothiophen-3-yl)-2-(4-bromophenyl)ethanone

1-(7-bromo-1-benzothiophen-3-yl)-2-(4-bromophenyl)ethanone (PubChem CID 81141825) has the molecular formula C16H10Br2OS and a molecular weight of 410.13 g/mol. Its IUPAC name is 1-(7-bromo-1-benzothiophen-3-yl)-2-(4-bromophenyl)ethanone.

Molecular Properties

Compound Name1-(7-bromo-1-benzothiophen-3-yl)-2-(4-bromophenyl)ethanone
PubChem CID81141825
Molecular FormulaC16H10Br2OS
Molecular Weight410.13 g/mol
Exact Mass407.88
IUPAC Name1-(7-bromo-1-benzothiophen-3-yl)-2-(4-bromophenyl)ethanone
SMILESO=C(Cc1ccc(Br)cc1)c1csc2c(Br)cccc12
InChIInChI=1S/C16H10Br2OS/c17-11-6-4-10(5-7-11)8-15(19)13-9-20-16-12(13)2-1-3-14(16)18/h1-7,9H,8H2
InChIKeyLBIVWBPAIOCXAY-UHFFFAOYSA-N
XLogP5.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.13
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-bromo-1-benzothiophen-3-yl)-3-chloropropan-1-one
CID 104645888
1-(7-bromo-1-benzothiophen-3-yl)-4,4,4-trifluorobutan-1-one
CID 81142486
1-(7-bromo-1-benzothiophen-3-yl)-2,2,2-trifluoroethanone
CID 81429856
(7-bromo-1-benzothiophen-3-yl)-cycloheptylmethanone
CID 81142341
(7-bromo-1-benzothiophen-3-yl)methanol
CID 81142228
1-(7-bromo-1-benzothiophen-3-yl)-2-propylpentan-1-one
CID 82984571
(7-bromo-1-benzothiophen-3-yl)-thiophen-3-ylmethanone
CID 81142488
2-(4-bromophenyl)-1-(2-hydroxyphenyl)ethanone
CID 118516182
3-(7-bromo-1-benzothiophen-3-yl)propanoic acid
CID 117197596
(7-bromo-1-benzothiophen-3-yl)-(2,3-dichlorophenyl)methanone
CID 81141972
1-(3-bromophenyl)-2-(4-bromophenyl)ethanone
CID 55026809
1-(1-benzothiophen-3-yl)-2-(3-bromo-4-fluorophenyl)ethanone
CID 114964824

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1-benzothiophen-3-yl)-2-(4-bromophenyl)ethanone?
The IUPAC name of 1-(7-bromo-1-benzothiophen-3-yl)-2-(4-bromophenyl)ethanone (CID 81141825) is 1-(7-bromo-1-benzothiophen-3-yl)-2-(4-bromophenyl)ethanone.
What is the SMILES notation for 1-(7-bromo-1-benzothiophen-3-yl)-2-(4-bromophenyl)ethanone?
The canonical SMILES for 1-(7-bromo-1-benzothiophen-3-yl)-2-(4-bromophenyl)ethanone is O=C(Cc1ccc(Br)cc1)c1csc2c(Br)cccc12.
What is the InChIKey of 1-(7-bromo-1-benzothiophen-3-yl)-2-(4-bromophenyl)ethanone?
The InChIKey is LBIVWBPAIOCXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Br2OS/c17-11-6-4-10(5-7-11)8-15(19)13-9-20-16-12(13)2-1-3-14(16)18/h1-7,9H,8H2.
What are the key properties of 1-(7-bromo-1-benzothiophen-3-yl)-2-(4-bromophenyl)ethanone?
1-(7-bromo-1-benzothiophen-3-yl)-2-(4-bromophenyl)ethanone has a molecular weight of 410.13 g/mol, XLogP of 5.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1-benzothiophen-3-yl)-2-(4-bromophenyl)ethanone is sourced from PubChem (CID 81141825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).