3-(4-chlorothiophen-3-yl)propanoic acid

C7H7ClO2S — CID 165495790

IUPAC3-(4-chlorothiophen-3-yl)propanoic acid
SMILESO=C(O)CCc1cscc1Cl
InChIInChI=1S/C7H7ClO2S/c8-6-4-11-3-5(6)1-2-7(9)10/h3-4H,1-2H2,(H,9,10)
InChIKeyHNAWDQSYWWCAOM-UHFFFAOYSA-N
MW190.65 g/mol
LogP2.42
Rot. Bonds3

About 3-(4-chlorothiophen-3-yl)propanoic acid

3-(4-chlorothiophen-3-yl)propanoic acid (PubChem CID 165495790) has the molecular formula C7H7ClO2S and a molecular weight of 190.65 g/mol. Its IUPAC name is 3-(4-chlorothiophen-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-chlorothiophen-3-yl)propanoic acid
PubChem CID165495790
Molecular FormulaC7H7ClO2S
Molecular Weight190.65 g/mol
Exact Mass189.99
IUPAC Name3-(4-chlorothiophen-3-yl)propanoic acid
SMILESO=C(O)CCc1cscc1Cl
InChIInChI=1S/C7H7ClO2S/c8-6-4-11-3-5(6)1-2-7(9)10/h3-4H,1-2H2,(H,9,10)
InChIKeyHNAWDQSYWWCAOM-UHFFFAOYSA-N
XLogP2.42
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.65
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-[4-(carboxymethyl)thiophen-3-yl]phenyl]propanoic acid
CID 174337760
3-(2,5-dichloro-4-fluorophenyl)propanoic acid
CID 84699843
3-(3-chloro-2-hydroxyphenyl)propanoic acid
CID 54416196
3-(3,5-dichloro-2-hydroxyphenyl)propanoic acid
CID 54270247
3-(4,6-dichloro-3-pyridinyl)propanoic acid
CID 116519709
3-(4-chloronaphthalen-1-yl)propanoic acid
CID 82264749
3-[2-(carboxymethyl)-5-chlorophenyl]propanoic acid
CID 118836350
3-(5-bromo-3-chloro-2-hydroxyphenyl)propanoic acid
CID 142920745
3-(5-bromo-3-chloro-2-methylphenyl)propanoic acid
CID 84714681
3-(2,3-dichloro-4-hydroxyphenyl)propanoic acid
CID 123409299
3-[3-chloro-4-(methoxymethyl)phenyl]propanoic acid
CID 117329480
3-(3-chloro-2-fluoro-5-methylphenyl)propanoic acid
CID 84682257

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorothiophen-3-yl)propanoic acid?
The IUPAC name of 3-(4-chlorothiophen-3-yl)propanoic acid (CID 165495790) is 3-(4-chlorothiophen-3-yl)propanoic acid.
What is the SMILES notation for 3-(4-chlorothiophen-3-yl)propanoic acid?
The canonical SMILES for 3-(4-chlorothiophen-3-yl)propanoic acid is O=C(O)CCc1cscc1Cl.
What is the InChIKey of 3-(4-chlorothiophen-3-yl)propanoic acid?
The InChIKey is HNAWDQSYWWCAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO2S/c8-6-4-11-3-5(6)1-2-7(9)10/h3-4H,1-2H2,(H,9,10).
What are the key properties of 3-(4-chlorothiophen-3-yl)propanoic acid?
3-(4-chlorothiophen-3-yl)propanoic acid has a molecular weight of 190.65 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorothiophen-3-yl)propanoic acid is sourced from PubChem (CID 165495790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).