(2-oxooxolan-3-yl) 5-chloro-2-hydroxybenzoate

C11H9ClO5 — CID 23824523

IUPAC(2-oxooxolan-3-yl) 5-chloro-2-hydroxybenzoate
SMILESO=C(OC1CCOC1=O)c1cc(Cl)ccc1O
InChIInChI=1S/C11H9ClO5/c12-6-1-2-8(13)7(5-6)10(14)17-9-3-4-16-11(9)15/h1-2,5,9,13H,3-4H2
InChIKeyIEDCEBBWHRMKRL-UHFFFAOYSA-N
MW256.64 g/mol
LogP1.52
Rot. Bonds2

About (2-oxooxolan-3-yl) 5-chloro-2-hydroxybenzoate

(2-oxooxolan-3-yl) 5-chloro-2-hydroxybenzoate (PubChem CID 23824523) has the molecular formula C11H9ClO5 and a molecular weight of 256.64 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 5-chloro-2-hydroxybenzoate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 5-chloro-2-hydroxybenzoate
PubChem CID23824523
Molecular FormulaC11H9ClO5
Molecular Weight256.64 g/mol
Exact Mass256.01
IUPAC Name(2-oxooxolan-3-yl) 5-chloro-2-hydroxybenzoate
SMILESO=C(OC1CCOC1=O)c1cc(Cl)ccc1O
InChIInChI=1S/C11H9ClO5/c12-6-1-2-8(13)7(5-6)10(14)17-9-3-4-16-11(9)15/h1-2,5,9,13H,3-4H2
InChIKeyIEDCEBBWHRMKRL-UHFFFAOYSA-N
XLogP1.52
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.64
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-oxooxolan-3-yl) 5-chloro-2-hydroxybenzoate 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 (2-oxooxolan-3-yl) 5-chloro-2-hydroxybenzoate?
The IUPAC name of (2-oxooxolan-3-yl) 5-chloro-2-hydroxybenzoate (CID 23824523) is (2-oxooxolan-3-yl) 5-chloro-2-hydroxybenzoate.
What is the SMILES notation for (2-oxooxolan-3-yl) 5-chloro-2-hydroxybenzoate?
The canonical SMILES for (2-oxooxolan-3-yl) 5-chloro-2-hydroxybenzoate is O=C(OC1CCOC1=O)c1cc(Cl)ccc1O.
What is the InChIKey of (2-oxooxolan-3-yl) 5-chloro-2-hydroxybenzoate?
The InChIKey is IEDCEBBWHRMKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO5/c12-6-1-2-8(13)7(5-6)10(14)17-9-3-4-16-11(9)15/h1-2,5,9,13H,3-4H2.
What are the key properties of (2-oxooxolan-3-yl) 5-chloro-2-hydroxybenzoate?
(2-oxooxolan-3-yl) 5-chloro-2-hydroxybenzoate has a molecular weight of 256.64 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 5-chloro-2-hydroxybenzoate is sourced from PubChem (CID 23824523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).