3-[(Z)-2-(4-bromophenyl)ethenyl]-1-benzothiophene

C16H11BrS — CID 126718313

IUPAC3-[(Z)-2-(4-bromophenyl)ethenyl]-1-benzothiophene
SMILESBrc1ccc(/C=C\c2csc3ccccc23)cc1
InChIInChI=1S/C16H11BrS/c17-14-9-6-12(7-10-14)5-8-13-11-18-16-4-2-1-3-15(13)16/h1-11H/b8-5-
InChIKeyDDRYRTPEZMBFDI-YVMONPNESA-N
MW315.24 g/mol
LogP5.83
Rot. Bonds2

About 3-[(Z)-2-(4-bromophenyl)ethenyl]-1-benzothiophene

3-[(Z)-2-(4-bromophenyl)ethenyl]-1-benzothiophene (PubChem CID 126718313) has the molecular formula C16H11BrS and a molecular weight of 315.24 g/mol. Its IUPAC name is 3-[(Z)-2-(4-bromophenyl)ethenyl]-1-benzothiophene.

Molecular Properties

Compound Name3-[(Z)-2-(4-bromophenyl)ethenyl]-1-benzothiophene
PubChem CID126718313
Molecular FormulaC16H11BrS
Molecular Weight315.24 g/mol
Exact Mass313.98
IUPAC Name3-[(Z)-2-(4-bromophenyl)ethenyl]-1-benzothiophene
SMILESBrc1ccc(/C=C\c2csc3ccccc23)cc1
InChIInChI=1S/C16H11BrS/c17-14-9-6-12(7-10-14)5-8-13-11-18-16-4-2-1-3-15(13)16/h1-11H/b8-5-
InChIKeyDDRYRTPEZMBFDI-YVMONPNESA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.24
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-3-(1-benzothiophen-3-yl)-1-(5-bromo-2-hydroxyphenyl)prop-2-en-1-one
CID 166635556
3-(2,2-dibromoethenyl)-1-benzothiophene
CID 130532128
9,10-bis[4-[2-(4-bromophenyl)ethenyl]phenyl]anthracene
CID 142672624
2-[2-(1-benzothiophen-3-yl)ethenyl]-1-methylpyridin-1-ium
CID 4003439
2-[(E)-2-(4-bromophenyl)ethenyl]aniline
CID 70367525
1-bromo-4-[(E)-2-fluoroethenyl]benzene;(E)-1-chloro-2-fluoroethene;3-[(E)-2-fluoroethenyl]-1-benzothiophene;(E)-1-fluoroprop-1-ene;(E)-1-fluoro-3,7,7-trimethyloct-1-ene;prop-1-ene
CID 162155691
[5-[(E)-2-(1-benzothiophen-3-yl)ethenyl]thiophen-2-yl]methanol
CID 14696275
2-[2-[(E)-2-(1-benzothiophen-3-yl)ethenyl]pyridin-1-ium-1-yl]ethanamine
CID 23787849
N-[2-[2-(1-benzothiophen-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-bromobenzamide
CID 123741387
2-(1-benzothiophen-3-ylmethylideneamino)ethanethial
CID 91504286
N-(1-benzothiophen-3-ylmethylideneamino)aniline
CID 68863120
(5Z)-5-(1-benzothiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 156538731

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-(4-bromophenyl)ethenyl]-1-benzothiophene?
The IUPAC name of 3-[(Z)-2-(4-bromophenyl)ethenyl]-1-benzothiophene (CID 126718313) is 3-[(Z)-2-(4-bromophenyl)ethenyl]-1-benzothiophene.
What is the SMILES notation for 3-[(Z)-2-(4-bromophenyl)ethenyl]-1-benzothiophene?
The canonical SMILES for 3-[(Z)-2-(4-bromophenyl)ethenyl]-1-benzothiophene is Brc1ccc(/C=C\c2csc3ccccc23)cc1.
What is the InChIKey of 3-[(Z)-2-(4-bromophenyl)ethenyl]-1-benzothiophene?
The InChIKey is DDRYRTPEZMBFDI-YVMONPNESA-N. The full InChI is InChI=1S/C16H11BrS/c17-14-9-6-12(7-10-14)5-8-13-11-18-16-4-2-1-3-15(13)16/h1-11H/b8-5-.
What are the key properties of 3-[(Z)-2-(4-bromophenyl)ethenyl]-1-benzothiophene?
3-[(Z)-2-(4-bromophenyl)ethenyl]-1-benzothiophene has a molecular weight of 315.24 g/mol, XLogP of 5.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-(4-bromophenyl)ethenyl]-1-benzothiophene is sourced from PubChem (CID 126718313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).