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

C14H14O4S — CID 22681173

IUPAC3-(3-hydroxy-4-methoxyphenyl)-2-thiophen-2-ylpropanoic acid
SMILESCOc1ccc(CC(C(=O)O)c2cccs2)cc1O
InChIInChI=1S/C14H14O4S/c1-18-12-5-4-9(8-11(12)15)7-10(14(16)17)13-3-2-6-19-13/h2-6,8,10,15H,7H2,1H3,(H,16,17)
InChIKeyIFWDRJUWSGYSGL-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.87
Rot. Bonds5

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

3-(3-hydroxy-4-methoxyphenyl)-2-thiophen-2-ylpropanoic acid (PubChem CID 22681173) has the molecular formula C14H14O4S and a molecular weight of 278.33 g/mol. Its IUPAC name is 3-(3-hydroxy-4-methoxyphenyl)-2-thiophen-2-ylpropanoic acid.

Molecular Properties

Compound Name3-(3-hydroxy-4-methoxyphenyl)-2-thiophen-2-ylpropanoic acid
PubChem CID22681173
Molecular FormulaC14H14O4S
Molecular Weight278.33 g/mol
Exact Mass278.06
IUPAC Name3-(3-hydroxy-4-methoxyphenyl)-2-thiophen-2-ylpropanoic acid
SMILESCOc1ccc(CC(C(=O)O)c2cccs2)cc1O
InChIInChI=1S/C14H14O4S/c1-18-12-5-4-9(8-11(12)15)7-10(14(16)17)13-3-2-6-19-13/h2-6,8,10,15H,7H2,1H3,(H,16,17)
InChIKeyIFWDRJUWSGYSGL-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-(3-hydroxy-4-methoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 83950546
3-(4-methoxy-3-pentoxyphenyl)-2-thiophen-2-ylpropanoic acid
CID 20986503
3-[4-methoxy-3-(2-phenoxyethoxy)phenyl]-2-thiophen-2-ylpropanoic acid
CID 20990244
3-[4-[3-(dimethylamino)propoxy]-3-methoxyphenyl]-2-thiophen-2-ylpropanoic acid
CID 22681229
3-(3-chloro-4-propan-2-yloxyphenyl)-2-thiophen-2-ylpropanoic acid
CID 83953051
2-(3,4-dimethylphenyl)-3-(3-hydroxy-4-methoxyphenyl)propanoic acid
CID 82160556
3-(2-hydroxy-4-methoxyphenyl)-2-thiophen-2-ylpropanoic acid
CID 22687405
2-(5-chloro-2-methoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propanoic acid
CID 83950557
3-(3-hydroxy-4-methoxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid
CID 83950554
3-[4-(4-chlorophenoxy)phenyl]-2-thiophen-2-ylpropanoic acid
CID 20988831
3-[4-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]-2-thiophen-2-ylpropanoic acid
CID 20990776
3-[3-[3-(dimethylamino)propoxy]phenyl]-2-thiophen-2-ylpropanoic acid
CID 22688049

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-4-methoxyphenyl)-2-thiophen-2-ylpropanoic acid?
The IUPAC name of 3-(3-hydroxy-4-methoxyphenyl)-2-thiophen-2-ylpropanoic acid (CID 22681173) is 3-(3-hydroxy-4-methoxyphenyl)-2-thiophen-2-ylpropanoic acid.
What is the SMILES notation for 3-(3-hydroxy-4-methoxyphenyl)-2-thiophen-2-ylpropanoic acid?
The canonical SMILES for 3-(3-hydroxy-4-methoxyphenyl)-2-thiophen-2-ylpropanoic acid is COc1ccc(CC(C(=O)O)c2cccs2)cc1O.
What is the InChIKey of 3-(3-hydroxy-4-methoxyphenyl)-2-thiophen-2-ylpropanoic acid?
The InChIKey is IFWDRJUWSGYSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4S/c1-18-12-5-4-9(8-11(12)15)7-10(14(16)17)13-3-2-6-19-13/h2-6,8,10,15H,7H2,1H3,(H,16,17).
What are the key properties of 3-(3-hydroxy-4-methoxyphenyl)-2-thiophen-2-ylpropanoic acid?
3-(3-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-(3-hydroxy-4-methoxyphenyl)-2-thiophen-2-ylpropanoic acid is sourced from PubChem (CID 22681173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).