5-(2-hydroxy-2-methylpropyl)thiophene-2-carboxylic acid

C9H12O3S — CID 12649933

IUPAC5-(2-hydroxy-2-methylpropyl)thiophene-2-carboxylic acid
SMILESCC(C)(O)Cc1ccc(C(=O)O)s1
InChIInChI=1S/C9H12O3S/c1-9(2,12)5-6-3-4-7(13-6)8(10)11/h3-4,12H,5H2,1-2H3,(H,10,11)
InChIKeyGACGOYYBOFRKEA-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.76
Rot. Bonds3

About 5-(2-hydroxy-2-methylpropyl)thiophene-2-carboxylic acid

5-(2-hydroxy-2-methylpropyl)thiophene-2-carboxylic acid (PubChem CID 12649933) has the molecular formula C9H12O3S and a molecular weight of 200.26 g/mol. Its IUPAC name is 5-(2-hydroxy-2-methylpropyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-hydroxy-2-methylpropyl)thiophene-2-carboxylic acid
PubChem CID12649933
Molecular FormulaC9H12O3S
Molecular Weight200.26 g/mol
Exact Mass200.05
IUPAC Name5-(2-hydroxy-2-methylpropyl)thiophene-2-carboxylic acid
SMILESCC(C)(O)Cc1ccc(C(=O)O)s1
InChIInChI=1S/C9H12O3S/c1-9(2,12)5-6-3-4-7(13-6)8(10)11/h3-4,12H,5H2,1-2H3,(H,10,11)
InChIKeyGACGOYYBOFRKEA-UHFFFAOYSA-N
XLogP1.76
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Tiaprofenic Acid
CID 5468
2-(2-Thienylcarbonyl)benzoic acid
CID 282654
4,5-Dimethylthiophene-2-carboxylic acid
CID 2769634
5-Methylthiophene-2-carboxylic acid
CID 74713
4-(Thiophen-2-yl)benzoic acid
CID 736498
4-(3-Thienyl)benzoic acid
CID 736862
5-Phenyl-2-Thiophenecarboxylic Acid
CID 736494
5-Ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid
CID 2998934
4,5,6,7-Tetrahydro-1-benzothiophene-2-carboxylic acid
CID 2063443
4H,5H,6H-cyclopenta(b)thiophene-2-carboxylic acid
CID 770980
5-Acetylthiophene-2-carboxylic acid
CID 3742727
5-Ethylthiophene-2-carboxylic acid
CID 588192

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxy-2-methylpropyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(2-hydroxy-2-methylpropyl)thiophene-2-carboxylic acid (CID 12649933) is 5-(2-hydroxy-2-methylpropyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(2-hydroxy-2-methylpropyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(2-hydroxy-2-methylpropyl)thiophene-2-carboxylic acid is CC(C)(O)Cc1ccc(C(=O)O)s1.
What is the InChIKey of 5-(2-hydroxy-2-methylpropyl)thiophene-2-carboxylic acid?
The InChIKey is GACGOYYBOFRKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3S/c1-9(2,12)5-6-3-4-7(13-6)8(10)11/h3-4,12H,5H2,1-2H3,(H,10,11).
What are the key properties of 5-(2-hydroxy-2-methylpropyl)thiophene-2-carboxylic acid?
5-(2-hydroxy-2-methylpropyl)thiophene-2-carboxylic acid has a molecular weight of 200.26 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxy-2-methylpropyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 12649933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).