2-[1-hydroxy-1-(2-methoxyphenyl)ethyl]thiophene-3-carboxylic acid

C14H14O4S — CID 107431992

IUPAC2-[1-hydroxy-1-(2-methoxyphenyl)ethyl]thiophene-3-carboxylic acid
SMILESCOc1ccccc1C(C)(O)c1sccc1C(=O)O
InChIInChI=1S/C14H14O4S/c1-14(17,10-5-3-4-6-11(10)18-2)12-9(13(15)16)7-8-19-12/h3-8,17H,1-2H3,(H,15,16)
InChIKeyCHPGUTUKNXEJML-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.71
Rot. Bonds4

About 2-[1-hydroxy-1-(2-methoxyphenyl)ethyl]thiophene-3-carboxylic acid

2-[1-hydroxy-1-(2-methoxyphenyl)ethyl]thiophene-3-carboxylic acid (PubChem CID 107431992) has the molecular formula C14H14O4S and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-[1-hydroxy-1-(2-methoxyphenyl)ethyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[1-hydroxy-1-(2-methoxyphenyl)ethyl]thiophene-3-carboxylic acid
PubChem CID107431992
Molecular FormulaC14H14O4S
Molecular Weight278.33 g/mol
Exact Mass278.06
IUPAC Name2-[1-hydroxy-1-(2-methoxyphenyl)ethyl]thiophene-3-carboxylic acid
SMILESCOc1ccccc1C(C)(O)c1sccc1C(=O)O
InChIInChI=1S/C14H14O4S/c1-14(17,10-5-3-4-6-11(10)18-2)12-9(13(15)16)7-8-19-12/h3-8,17H,1-2H3,(H,15,16)
InChIKeyCHPGUTUKNXEJML-UHFFFAOYSA-N
XLogP2.71
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-hydroxy-1-(2-methoxyphenyl)ethyl]thiophene-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,6-dimethoxyphenyl)-1-(2-methoxyphenyl)ethanol
CID 116809641
1-(2-fluoro-3-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol
CID 82805823
1-(2-methoxyphenyl)-1-thiophen-3-ylethanol
CID 65099719
1-(4-tert-butylphenyl)-1-(2-methoxyphenyl)ethanol
CID 62549935
(3R)-3-hydroxy-3-(2-methoxyphenyl)butan-2-one
CID 102236965
1-(4-bromo-1,3-thiazol-2-yl)-1-(2-methoxyphenyl)ethanol
CID 114684136
2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 591994
1-(4-fluorophenyl)-1-(2-methoxyphenyl)ethanol
CID 60793238
3-(2-methoxyphenyl)-2,2,4,4-tetramethylpentan-3-ol
CID 606344
1-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)ethanol
CID 62788494
3-[(2-methoxybenzoyl)amino]thiophene-2-carboxylic acid
CID 16770599
2-[1-(4-fluorophenyl)-2-hydroxypropan-2-yl]thiophene-3-carboxylic acid
CID 107432653

Frequently Asked Questions

What is the IUPAC name of 2-[1-hydroxy-1-(2-methoxyphenyl)ethyl]thiophene-3-carboxylic acid?
The IUPAC name of 2-[1-hydroxy-1-(2-methoxyphenyl)ethyl]thiophene-3-carboxylic acid (CID 107431992) is 2-[1-hydroxy-1-(2-methoxyphenyl)ethyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[1-hydroxy-1-(2-methoxyphenyl)ethyl]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[1-hydroxy-1-(2-methoxyphenyl)ethyl]thiophene-3-carboxylic acid is COc1ccccc1C(C)(O)c1sccc1C(=O)O.
What is the InChIKey of 2-[1-hydroxy-1-(2-methoxyphenyl)ethyl]thiophene-3-carboxylic acid?
The InChIKey is CHPGUTUKNXEJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4S/c1-14(17,10-5-3-4-6-11(10)18-2)12-9(13(15)16)7-8-19-12/h3-8,17H,1-2H3,(H,15,16).
What are the key properties of 2-[1-hydroxy-1-(2-methoxyphenyl)ethyl]thiophene-3-carboxylic acid?
2-[1-hydroxy-1-(2-methoxyphenyl)ethyl]thiophene-3-carboxylic acid has a molecular weight of 278.33 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-hydroxy-1-(2-methoxyphenyl)ethyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 107431992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).