3-(3-methylthiophen-2-yl)-2-phenylpropanoic acid

C14H14O2S — CID 79014830

IUPAC3-(3-methylthiophen-2-yl)-2-phenylpropanoic acid
SMILESCc1ccsc1CC(C(=O)O)c1ccccc1
InChIInChI=1S/C14H14O2S/c1-10-7-8-17-13(10)9-12(14(15)16)11-5-3-2-4-6-11/h2-8,12H,9H2,1H3,(H,15,16)
InChIKeyCJSVFXFKXZJXCO-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.47
Rot. Bonds4

About 3-(3-methylthiophen-2-yl)-2-phenylpropanoic acid

3-(3-methylthiophen-2-yl)-2-phenylpropanoic acid (PubChem CID 79014830) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is 3-(3-methylthiophen-2-yl)-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-(3-methylthiophen-2-yl)-2-phenylpropanoic acid
PubChem CID79014830
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name3-(3-methylthiophen-2-yl)-2-phenylpropanoic acid
SMILESCc1ccsc1CC(C(=O)O)c1ccccc1
InChIInChI=1S/C14H14O2S/c1-10-7-8-17-13(10)9-12(14(15)16)11-5-3-2-4-6-11/h2-8,12H,9H2,1H3,(H,15,16)
InChIKeyCJSVFXFKXZJXCO-UHFFFAOYSA-N
XLogP3.47
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-aminophenyl)-3-(3-methylthiophen-2-yl)propanoic acid
CID 83951611
3-(3-bromothiophen-2-yl)-2-phenylpropanoic acid
CID 65430568
2-hydroxy-3-(3-methylthiophen-2-yl)propanoic acid
CID 21313688
2-(3-methylthiophen-2-yl)butanoic acid
CID 79991313
(2S)-2,3-diphenylpropanoic acid
CID 737125
2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-phenylacetamide
CID 18135887
3-(3-chlorothiophen-2-yl)-2-(4-fluorophenyl)propanoic acid
CID 112749439
N-(2-hydroxy-1-phenylethyl)-4-(3-methylthiophen-2-yl)butanamide
CID 110001235
3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)propanoic acid
CID 79440338
3-(3-methylthiophen-2-yl)-2-phenyl-N-propylpropan-1-amine
CID 81024674
3-(3-methylthiophen-2-yl)-2-(3-phenoxyphenyl)propan-1-amine
CID 83973441
N-[(3-methylthiophen-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 46592818

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylthiophen-2-yl)-2-phenylpropanoic acid?
The IUPAC name of 3-(3-methylthiophen-2-yl)-2-phenylpropanoic acid (CID 79014830) is 3-(3-methylthiophen-2-yl)-2-phenylpropanoic acid.
What is the SMILES notation for 3-(3-methylthiophen-2-yl)-2-phenylpropanoic acid?
The canonical SMILES for 3-(3-methylthiophen-2-yl)-2-phenylpropanoic acid is Cc1ccsc1CC(C(=O)O)c1ccccc1.
What is the InChIKey of 3-(3-methylthiophen-2-yl)-2-phenylpropanoic acid?
The InChIKey is CJSVFXFKXZJXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c1-10-7-8-17-13(10)9-12(14(15)16)11-5-3-2-4-6-11/h2-8,12H,9H2,1H3,(H,15,16).
What are the key properties of 3-(3-methylthiophen-2-yl)-2-phenylpropanoic acid?
3-(3-methylthiophen-2-yl)-2-phenylpropanoic acid has a molecular weight of 246.33 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylthiophen-2-yl)-2-phenylpropanoic acid is sourced from PubChem (CID 79014830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).