2-(4-chlorothiophen-2-yl)oxolane-3-carboxylic acid

C9H9ClO3S — CID 79427120

IUPAC2-(4-chlorothiophen-2-yl)oxolane-3-carboxylic acid
SMILESO=C(O)C1CCOC1c1cc(Cl)cs1
InChIInChI=1S/C9H9ClO3S/c10-5-3-7(14-4-5)8-6(9(11)12)1-2-13-8/h3-4,6,8H,1-2H2,(H,11,12)
InChIKeyATUGBVZBXBEJNU-UHFFFAOYSA-N
MW232.69 g/mol
LogP2.56
Rot. Bonds2

About 2-(4-chlorothiophen-2-yl)oxolane-3-carboxylic acid

2-(4-chlorothiophen-2-yl)oxolane-3-carboxylic acid (PubChem CID 79427120) has the molecular formula C9H9ClO3S and a molecular weight of 232.69 g/mol. Its IUPAC name is 2-(4-chlorothiophen-2-yl)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-chlorothiophen-2-yl)oxolane-3-carboxylic acid
PubChem CID79427120
Molecular FormulaC9H9ClO3S
Molecular Weight232.69 g/mol
Exact Mass232.00
IUPAC Name2-(4-chlorothiophen-2-yl)oxolane-3-carboxylic acid
SMILESO=C(O)C1CCOC1c1cc(Cl)cs1
InChIInChI=1S/C9H9ClO3S/c10-5-3-7(14-4-5)8-6(9(11)12)1-2-13-8/h3-4,6,8H,1-2H2,(H,11,12)
InChIKeyATUGBVZBXBEJNU-UHFFFAOYSA-N
XLogP2.56
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.69
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(chloromethyl)-2-(4-chlorothiophen-2-yl)oxane
CID 79426692
[2-(4-chlorothiophen-2-yl)oxan-3-yl]methanamine
CID 79427333
2-(3,5-difluorophenyl)oxolane-3-carboxylic acid
CID 106534410
(2S,3R)-2-(2,4-dichlorophenyl)oxane-3-carboxylic acid
CID 96561046
2-(4-cyclopropylphenyl)oxolane-3-carboxylic acid
CID 79978253
2-(3-bromo-4-methylphenyl)oxolane-3-carboxylic acid
CID 105411654
[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-phenylmethanone
CID 10266040
2-(3-nitrophenyl)oxolane-3-carboxylic acid
CID 79368403
2-(5-nitrofuran-2-yl)oxolane-3-carboxylic acid
CID 79367934
2-(3-methylimidazol-4-yl)oxolane-3-carboxylic acid
CID 79367840
2-(1-methyltriazol-4-yl)oxolane-3-carboxylic acid
CID 126985099
2-(4,5-dibromofuran-2-yl)oxane-3-carboxylic acid
CID 79368033

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorothiophen-2-yl)oxolane-3-carboxylic acid?
The IUPAC name of 2-(4-chlorothiophen-2-yl)oxolane-3-carboxylic acid (CID 79427120) is 2-(4-chlorothiophen-2-yl)oxolane-3-carboxylic acid.
What is the SMILES notation for 2-(4-chlorothiophen-2-yl)oxolane-3-carboxylic acid?
The canonical SMILES for 2-(4-chlorothiophen-2-yl)oxolane-3-carboxylic acid is O=C(O)C1CCOC1c1cc(Cl)cs1.
What is the InChIKey of 2-(4-chlorothiophen-2-yl)oxolane-3-carboxylic acid?
The InChIKey is ATUGBVZBXBEJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO3S/c10-5-3-7(14-4-5)8-6(9(11)12)1-2-13-8/h3-4,6,8H,1-2H2,(H,11,12).
What are the key properties of 2-(4-chlorothiophen-2-yl)oxolane-3-carboxylic acid?
2-(4-chlorothiophen-2-yl)oxolane-3-carboxylic acid has a molecular weight of 232.69 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorothiophen-2-yl)oxolane-3-carboxylic acid is sourced from PubChem (CID 79427120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).