3,5-dichloro-2-(4-hydroxy-1,1-dioxothiolan-3-yl)oxybenzoic acid

C11H10Cl2O6S — CID 60884471

IUPAC3,5-dichloro-2-(4-hydroxy-1,1-dioxothiolan-3-yl)oxybenzoic acid
SMILESO=C(O)c1cc(Cl)cc(Cl)c1OC1CS(=O)(=O)CC1O
InChIInChI=1S/C11H10Cl2O6S/c12-5-1-6(11(15)16)10(7(13)2-5)19-9-4-20(17,18)3-8(9)14/h1-2,8-9,14H,3-4H2,(H,15,16)
InChIKeyFPLZZWCAPFHWMR-UHFFFAOYSA-N
MW341.17 g/mol
LogP1.23
Rot. Bonds3

About 3,5-dichloro-2-(4-hydroxy-1,1-dioxothiolan-3-yl)oxybenzoic acid

3,5-dichloro-2-(4-hydroxy-1,1-dioxothiolan-3-yl)oxybenzoic acid (PubChem CID 60884471) has the molecular formula C11H10Cl2O6S and a molecular weight of 341.17 g/mol. Its IUPAC name is 3,5-dichloro-2-(4-hydroxy-1,1-dioxothiolan-3-yl)oxybenzoic acid.

Molecular Properties

Compound Name3,5-dichloro-2-(4-hydroxy-1,1-dioxothiolan-3-yl)oxybenzoic acid
PubChem CID60884471
Molecular FormulaC11H10Cl2O6S
Molecular Weight341.17 g/mol
Exact Mass339.96
IUPAC Name3,5-dichloro-2-(4-hydroxy-1,1-dioxothiolan-3-yl)oxybenzoic acid
SMILESO=C(O)c1cc(Cl)cc(Cl)c1OC1CS(=O)(=O)CC1O
InChIInChI=1S/C11H10Cl2O6S/c12-5-1-6(11(15)16)10(7(13)2-5)19-9-4-20(17,18)3-8(9)14/h1-2,8-9,14H,3-4H2,(H,15,16)
InChIKeyFPLZZWCAPFHWMR-UHFFFAOYSA-N
XLogP1.23
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.17
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3,5-dichloro-2-(4-hydroxy-1,1-dioxothiolan-3-yl)oxybenzoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-(4-hydroxy-1,1-dioxothiolan-3-yl)oxybenzoic acid?
The IUPAC name of 3,5-dichloro-2-(4-hydroxy-1,1-dioxothiolan-3-yl)oxybenzoic acid (CID 60884471) is 3,5-dichloro-2-(4-hydroxy-1,1-dioxothiolan-3-yl)oxybenzoic acid.
What is the SMILES notation for 3,5-dichloro-2-(4-hydroxy-1,1-dioxothiolan-3-yl)oxybenzoic acid?
The canonical SMILES for 3,5-dichloro-2-(4-hydroxy-1,1-dioxothiolan-3-yl)oxybenzoic acid is O=C(O)c1cc(Cl)cc(Cl)c1OC1CS(=O)(=O)CC1O.
What is the InChIKey of 3,5-dichloro-2-(4-hydroxy-1,1-dioxothiolan-3-yl)oxybenzoic acid?
The InChIKey is FPLZZWCAPFHWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2O6S/c12-5-1-6(11(15)16)10(7(13)2-5)19-9-4-20(17,18)3-8(9)14/h1-2,8-9,14H,3-4H2,(H,15,16).
What are the key properties of 3,5-dichloro-2-(4-hydroxy-1,1-dioxothiolan-3-yl)oxybenzoic acid?
3,5-dichloro-2-(4-hydroxy-1,1-dioxothiolan-3-yl)oxybenzoic acid has a molecular weight of 341.17 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-(4-hydroxy-1,1-dioxothiolan-3-yl)oxybenzoic acid is sourced from PubChem (CID 60884471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).