3-(4-chloro-3-ethenylphenyl)thiophene

C12H9ClS — CID 172650432

IUPAC3-(4-chloro-3-ethenylphenyl)thiophene
SMILESC=Cc1cc(-c2ccsc2)ccc1Cl
InChIInChI=1S/C12H9ClS/c1-2-9-7-10(3-4-12(9)13)11-5-6-14-8-11/h2-8H,1H2
InChIKeyHQRKCWSUHSPDCM-UHFFFAOYSA-N
MW220.72 g/mol
LogP4.71
Rot. Bonds2

About 3-(4-chloro-3-ethenylphenyl)thiophene

3-(4-chloro-3-ethenylphenyl)thiophene (PubChem CID 172650432) has the molecular formula C12H9ClS and a molecular weight of 220.72 g/mol. Its IUPAC name is 3-(4-chloro-3-ethenylphenyl)thiophene.

Molecular Properties

Compound Name3-(4-chloro-3-ethenylphenyl)thiophene
PubChem CID172650432
Molecular FormulaC12H9ClS
Molecular Weight220.72 g/mol
Exact Mass220.01
IUPAC Name3-(4-chloro-3-ethenylphenyl)thiophene
SMILESC=Cc1cc(-c2ccsc2)ccc1Cl
InChIInChI=1S/C12H9ClS/c1-2-9-7-10(3-4-12(9)13)11-5-6-14-8-11/h2-8H,1H2
InChIKeyHQRKCWSUHSPDCM-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.72
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-thiophen-3-ylphenyl)thiophene
CID 91665249
3-(2-ethenyl-4-methylphenyl)thiophene
CID 172650348
1-chloro-2-ethenyl-4-methylbenzene
CID 19377357
3-(3-ethenyl-5-methylphenyl)thiophene
CID 172650410
3-(2-ethenyl-5-methoxyphenyl)thiophene
CID 172650339
2-(4-chloro-3-ethenylphenyl)acetonitrile
CID 164915260
3-[4-(4-phenylphenyl)phenyl]thiophene
CID 102231125
4-thiophen-3-ylphenol
CID 4130342
2-ethoxy-5-thiophen-3-ylbenzaldehyde
CID 172650297
3-(2-ethenyl-6-methoxyphenyl)thiophene
CID 172650323
3-chloro-2-methyl-5-thiophen-3-ylpyridine
CID 123825784
cyclopenta[c]thiopyran
CID 584139

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-ethenylphenyl)thiophene?
The IUPAC name of 3-(4-chloro-3-ethenylphenyl)thiophene (CID 172650432) is 3-(4-chloro-3-ethenylphenyl)thiophene.
What is the SMILES notation for 3-(4-chloro-3-ethenylphenyl)thiophene?
The canonical SMILES for 3-(4-chloro-3-ethenylphenyl)thiophene is C=Cc1cc(-c2ccsc2)ccc1Cl.
What is the InChIKey of 3-(4-chloro-3-ethenylphenyl)thiophene?
The InChIKey is HQRKCWSUHSPDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClS/c1-2-9-7-10(3-4-12(9)13)11-5-6-14-8-11/h2-8H,1H2.
What are the key properties of 3-(4-chloro-3-ethenylphenyl)thiophene?
3-(4-chloro-3-ethenylphenyl)thiophene has a molecular weight of 220.72 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-ethenylphenyl)thiophene is sourced from PubChem (CID 172650432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).