3-(4-cyclobutylphenyl)thiophene-2-carboxylic acid

C15H14O2S — CID 116506484

IUPAC3-(4-cyclobutylphenyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1-c1ccc(C2CCC2)cc1
InChIInChI=1S/C15H14O2S/c16-15(17)14-13(8-9-18-14)12-6-4-11(5-7-12)10-2-1-3-10/h4-10H,1-3H2,(H,16,17)
InChIKeyPPUZRJGANQFOKP-UHFFFAOYSA-N
MW258.34 g/mol
LogP4.38
Rot. Bonds3

About 3-(4-cyclobutylphenyl)thiophene-2-carboxylic acid

3-(4-cyclobutylphenyl)thiophene-2-carboxylic acid (PubChem CID 116506484) has the molecular formula C15H14O2S and a molecular weight of 258.34 g/mol. Its IUPAC name is 3-(4-cyclobutylphenyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(4-cyclobutylphenyl)thiophene-2-carboxylic acid
PubChem CID116506484
Molecular FormulaC15H14O2S
Molecular Weight258.34 g/mol
Exact Mass258.07
IUPAC Name3-(4-cyclobutylphenyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1-c1ccc(C2CCC2)cc1
InChIInChI=1S/C15H14O2S/c16-15(17)14-13(8-9-18-14)12-6-4-11(5-7-12)10-2-1-3-10/h4-10H,1-3H2,(H,16,17)
InChIKeyPPUZRJGANQFOKP-UHFFFAOYSA-N
XLogP4.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-cyclobutylphenyl)benzoic acid
CID 116506494
3-pyridin-4-ylthiophene-2-carboxylic acid;hydrochloride
CID 141009067
1-cyclopentyl-4-(4-cyclopentylphenyl)benzene;hydrogen peroxide
CID 175056737
4-chloro-2-(4-cyclobutylphenyl)benzoic acid
CID 107989871
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiophene-2-carboxylic acid
CID 63798374
1-cyclohexyl-4-(4-cyclohexylphenyl)benzene;hydrogen peroxide
CID 175051125
3-naphthalen-2-ylthiophene-2-carboxylic acid
CID 63798370
3-[4-(2-methoxyethyl)phenyl]thiophene-2-carboxylic acid
CID 63797186
(4-methylpiperidin-1-yl)-(3-phenylthiophen-2-yl)methanone
CID 78768210
N-[(4R)-1-methyl-2-oxopiperidin-4-yl]-3-phenylthiophene-2-carboxamide
CID 99778789
(3-hydroxypyrrolidin-1-yl)-(3-phenylthiophen-2-yl)methanone
CID 62916923
[1-[3-(4-methylphenyl)thiophene-2-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 51255293

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclobutylphenyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-(4-cyclobutylphenyl)thiophene-2-carboxylic acid (CID 116506484) is 3-(4-cyclobutylphenyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(4-cyclobutylphenyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(4-cyclobutylphenyl)thiophene-2-carboxylic acid is O=C(O)c1sccc1-c1ccc(C2CCC2)cc1.
What is the InChIKey of 3-(4-cyclobutylphenyl)thiophene-2-carboxylic acid?
The InChIKey is PPUZRJGANQFOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2S/c16-15(17)14-13(8-9-18-14)12-6-4-11(5-7-12)10-2-1-3-10/h4-10H,1-3H2,(H,16,17).
What are the key properties of 3-(4-cyclobutylphenyl)thiophene-2-carboxylic acid?
3-(4-cyclobutylphenyl)thiophene-2-carboxylic acid has a molecular weight of 258.34 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclobutylphenyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 116506484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).