3-(2-hydroxy-4-methoxyphenyl)-2-thiophen-2-ylpropanoic acid

C14H14O4S — CID 22687405

IUPAC3-(2-hydroxy-4-methoxyphenyl)-2-thiophen-2-ylpropanoic acid
SMILESCOc1ccc(CC(C(=O)O)c2cccs2)c(O)c1
InChIInChI=1S/C14H14O4S/c1-18-10-5-4-9(12(15)8-10)7-11(14(16)17)13-3-2-6-19-13/h2-6,8,11,15H,7H2,1H3,(H,16,17)
InChIKeyBIMJCIYUXZKEOZ-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.87
Rot. Bonds5

About 3-(2-hydroxy-4-methoxyphenyl)-2-thiophen-2-ylpropanoic acid

3-(2-hydroxy-4-methoxyphenyl)-2-thiophen-2-ylpropanoic acid (PubChem CID 22687405) has the molecular formula C14H14O4S and a molecular weight of 278.33 g/mol. Its IUPAC name is 3-(2-hydroxy-4-methoxyphenyl)-2-thiophen-2-ylpropanoic acid.

Molecular Properties

Compound Name3-(2-hydroxy-4-methoxyphenyl)-2-thiophen-2-ylpropanoic acid
PubChem CID22687405
Molecular FormulaC14H14O4S
Molecular Weight278.33 g/mol
Exact Mass278.06
IUPAC Name3-(2-hydroxy-4-methoxyphenyl)-2-thiophen-2-ylpropanoic acid
SMILESCOc1ccc(CC(C(=O)O)c2cccs2)c(O)c1
InChIInChI=1S/C14H14O4S/c1-18-10-5-4-9(12(15)8-10)7-11(14(16)17)13-3-2-6-19-13/h2-6,8,11,15H,7H2,1H3,(H,16,17)
InChIKeyBIMJCIYUXZKEOZ-UHFFFAOYSA-N
XLogP2.87
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-hydroxy-4-methoxyphenyl)-2-phenylpropanoic acid
CID 22680594
3-(3-hydroxy-4-methoxyphenyl)-2-thiophen-2-ylpropanoic acid
CID 22681173
3-(2,4-dimethoxyphenyl)-2-(3-hydroxyphenyl)propanoic acid
CID 83955617
3-[2-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]-2-thiophen-2-ylpropanoic acid
CID 22681442
3-[4-methoxy-3-(2-phenoxyethoxy)phenyl]-2-thiophen-2-ylpropanoic acid
CID 20990244
1-(4-methoxyphenyl)-2-thiophen-2-ylpentan-3-one
CID 142647578
3-(3-phenylmethoxyphenyl)-2-thiophen-2-ylpropanoic acid
CID 83952104
2-thiophen-2-ylbutanoic acid;hydrochloride
CID 141021688
(2S)-2-[(2-hydroxy-4-methoxyphenyl)methylamino]propanoic acid
CID 11096269
2-[(R)-amino(thiophen-2-yl)methyl]-5-methoxyphenol;hydrochloride
CID 171220205
2-[(2-hydroxy-4-methoxyphenyl)methylamino]propanoic acid
CID 61499464
3-(2,3-dichlorophenyl)-2-thiophen-2-ylpropanoic acid
CID 83954863

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-4-methoxyphenyl)-2-thiophen-2-ylpropanoic acid?
The IUPAC name of 3-(2-hydroxy-4-methoxyphenyl)-2-thiophen-2-ylpropanoic acid (CID 22687405) is 3-(2-hydroxy-4-methoxyphenyl)-2-thiophen-2-ylpropanoic acid.
What is the SMILES notation for 3-(2-hydroxy-4-methoxyphenyl)-2-thiophen-2-ylpropanoic acid?
The canonical SMILES for 3-(2-hydroxy-4-methoxyphenyl)-2-thiophen-2-ylpropanoic acid is COc1ccc(CC(C(=O)O)c2cccs2)c(O)c1.
What is the InChIKey of 3-(2-hydroxy-4-methoxyphenyl)-2-thiophen-2-ylpropanoic acid?
The InChIKey is BIMJCIYUXZKEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4S/c1-18-10-5-4-9(12(15)8-10)7-11(14(16)17)13-3-2-6-19-13/h2-6,8,11,15H,7H2,1H3,(H,16,17).
What are the key properties of 3-(2-hydroxy-4-methoxyphenyl)-2-thiophen-2-ylpropanoic acid?
3-(2-hydroxy-4-methoxyphenyl)-2-thiophen-2-ylpropanoic acid has a molecular weight of 278.33 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-4-methoxyphenyl)-2-thiophen-2-ylpropanoic acid is sourced from PubChem (CID 22687405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).