2-[(3-cyclopropylphenyl)-hydroxymethyl]thiophene-3-carboxylic acid

C15H14O3S — CID 107432406

IUPAC2-[(3-cyclopropylphenyl)-hydroxymethyl]thiophene-3-carboxylic acid
SMILESO=C(O)c1ccsc1C(O)c1cccc(C2CC2)c1
InChIInChI=1S/C15H14O3S/c16-13(14-12(15(17)18)6-7-19-14)11-3-1-2-10(8-11)9-4-5-9/h1-3,6-9,13,16H,4-5H2,(H,17,18)
InChIKeyMKQAPFOWZABICC-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.41
Rot. Bonds4

About 2-[(3-cyclopropylphenyl)-hydroxymethyl]thiophene-3-carboxylic acid

2-[(3-cyclopropylphenyl)-hydroxymethyl]thiophene-3-carboxylic acid (PubChem CID 107432406) has the molecular formula C15H14O3S and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-[(3-cyclopropylphenyl)-hydroxymethyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3-cyclopropylphenyl)-hydroxymethyl]thiophene-3-carboxylic acid
PubChem CID107432406
Molecular FormulaC15H14O3S
Molecular Weight274.34 g/mol
Exact Mass274.07
IUPAC Name2-[(3-cyclopropylphenyl)-hydroxymethyl]thiophene-3-carboxylic acid
SMILESO=C(O)c1ccsc1C(O)c1cccc(C2CC2)c1
InChIInChI=1S/C15H14O3S/c16-13(14-12(15(17)18)6-7-19-14)11-3-1-2-10(8-11)9-4-5-9/h1-3,6-9,13,16H,4-5H2,(H,17,18)
InChIKeyMKQAPFOWZABICC-UHFFFAOYSA-N
XLogP3.41
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3-cyclopropylphenyl)-hydroxymethyl]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

(3-cyclopropylphenyl)-(3-methylthiophen-2-yl)methanol
CID 79991292
(3-bromothiophen-2-yl)-(3-cyclobutylphenyl)methanol
CID 114601538
2-[(3,5-dimethylphenyl)-hydroxymethyl]thiophene-3-carboxylic acid
CID 107432220
(3-cyclobutylphenyl)-(1,3-thiazol-2-yl)methanol
CID 114601615
(4-chlorophenyl)-(3-cyclopropylphenyl)methanol
CID 79979843
2-hydroxy-2-[3-(4-methylcyclohexyl)phenyl]acetic acid
CID 117374049
(3-cyclobutylphenyl)-(3-ethylthiophen-2-yl)methanamine
CID 105053637
2-[(3-chloro-5-fluorophenyl)-hydroxymethyl]thiophene-3-carboxylic acid
CID 107432637
(3-cyclopropylphenyl)-(3,4-dichlorophenyl)methanol
CID 79980407
(3-chloro-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanol
CID 103408312
4-amino-3-(3-cyclopropylphenyl)butanoic acid
CID 79978164
(3-cyclopropylphenyl)-(2,4,5-trimethylphenyl)methanol
CID 79980572

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropylphenyl)-hydroxymethyl]thiophene-3-carboxylic acid?
The IUPAC name of 2-[(3-cyclopropylphenyl)-hydroxymethyl]thiophene-3-carboxylic acid (CID 107432406) is 2-[(3-cyclopropylphenyl)-hydroxymethyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(3-cyclopropylphenyl)-hydroxymethyl]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[(3-cyclopropylphenyl)-hydroxymethyl]thiophene-3-carboxylic acid is O=C(O)c1ccsc1C(O)c1cccc(C2CC2)c1.
What is the InChIKey of 2-[(3-cyclopropylphenyl)-hydroxymethyl]thiophene-3-carboxylic acid?
The InChIKey is MKQAPFOWZABICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3S/c16-13(14-12(15(17)18)6-7-19-14)11-3-1-2-10(8-11)9-4-5-9/h1-3,6-9,13,16H,4-5H2,(H,17,18).
What are the key properties of 2-[(3-cyclopropylphenyl)-hydroxymethyl]thiophene-3-carboxylic acid?
2-[(3-cyclopropylphenyl)-hydroxymethyl]thiophene-3-carboxylic acid has a molecular weight of 274.34 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropylphenyl)-hydroxymethyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 107432406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).