[(3S)-2-oxooxolan-3-yl] 4-chlorobenzoate

C11H9ClO4 — CID 2380151

IUPAC[(3S)-2-oxooxolan-3-yl] 4-chlorobenzoate
SMILESO=C(O[C@H]1CCOC1=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H9ClO4/c12-8-3-1-7(2-4-8)10(13)16-9-5-6-15-11(9)14/h1-4,9H,5-6H2/t9-/m0/s1
InChIKeyVMXPUYHEPKJSGZ-VIFPVBQESA-N
MW240.64 g/mol
LogP1.81
Rot. Bonds2

About [(3S)-2-oxooxolan-3-yl] 4-chlorobenzoate

[(3S)-2-oxooxolan-3-yl] 4-chlorobenzoate (PubChem CID 2380151) has the molecular formula C11H9ClO4 and a molecular weight of 240.64 g/mol. Its IUPAC name is [(3S)-2-oxooxolan-3-yl] 4-chlorobenzoate.

Molecular Properties

Compound Name[(3S)-2-oxooxolan-3-yl] 4-chlorobenzoate
PubChem CID2380151
Molecular FormulaC11H9ClO4
Molecular Weight240.64 g/mol
Exact Mass240.02
IUPAC Name[(3S)-2-oxooxolan-3-yl] 4-chlorobenzoate
SMILESO=C(O[C@H]1CCOC1=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H9ClO4/c12-8-3-1-7(2-4-8)10(13)16-9-5-6-15-11(9)14/h1-4,9H,5-6H2/t9-/m0/s1
InChIKeyVMXPUYHEPKJSGZ-VIFPVBQESA-N
XLogP1.81
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.64
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S)-2-oxooxolan-3-yl] 4-chlorobenzoate?
The IUPAC name of [(3S)-2-oxooxolan-3-yl] 4-chlorobenzoate (CID 2380151) is [(3S)-2-oxooxolan-3-yl] 4-chlorobenzoate.
What is the SMILES notation for [(3S)-2-oxooxolan-3-yl] 4-chlorobenzoate?
The canonical SMILES for [(3S)-2-oxooxolan-3-yl] 4-chlorobenzoate is O=C(O[C@H]1CCOC1=O)c1ccc(Cl)cc1.
What is the InChIKey of [(3S)-2-oxooxolan-3-yl] 4-chlorobenzoate?
The InChIKey is VMXPUYHEPKJSGZ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H9ClO4/c12-8-3-1-7(2-4-8)10(13)16-9-5-6-15-11(9)14/h1-4,9H,5-6H2/t9-/m0/s1.
What are the key properties of [(3S)-2-oxooxolan-3-yl] 4-chlorobenzoate?
[(3S)-2-oxooxolan-3-yl] 4-chlorobenzoate has a molecular weight of 240.64 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-oxooxolan-3-yl] 4-chlorobenzoate is sourced from PubChem (CID 2380151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).