[(3R)-oxolan-3-yl] 2-chlorobenzoate

C11H11ClO3 — CID 95615058

IUPAC[(3R)-oxolan-3-yl] 2-chlorobenzoate
SMILESO=C(O[C@@H]1CCOC1)c1ccccc1Cl
InChIInChI=1S/C11H11ClO3/c12-10-4-2-1-3-9(10)11(13)15-8-5-6-14-7-8/h1-4,8H,5-7H2/t8-/m1/s1
InChIKeyDVBQURLAOSRSND-MRVPVSSYSA-N
MW226.66 g/mol
LogP2.29
Rot. Bonds2

About [(3R)-oxolan-3-yl] 2-chlorobenzoate

[(3R)-oxolan-3-yl] 2-chlorobenzoate (PubChem CID 95615058) has the molecular formula C11H11ClO3 and a molecular weight of 226.66 g/mol. Its IUPAC name is [(3R)-oxolan-3-yl] 2-chlorobenzoate.

Molecular Properties

Compound Name[(3R)-oxolan-3-yl] 2-chlorobenzoate
PubChem CID95615058
Molecular FormulaC11H11ClO3
Molecular Weight226.66 g/mol
Exact Mass226.04
IUPAC Name[(3R)-oxolan-3-yl] 2-chlorobenzoate
SMILESO=C(O[C@@H]1CCOC1)c1ccccc1Cl
InChIInChI=1S/C11H11ClO3/c12-10-4-2-1-3-9(10)11(13)15-8-5-6-14-7-8/h1-4,8H,5-7H2/t8-/m1/s1
InChIKeyDVBQURLAOSRSND-MRVPVSSYSA-N
XLogP2.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R)-oxolan-3-yl] 2-chlorobenzoate?
The IUPAC name of [(3R)-oxolan-3-yl] 2-chlorobenzoate (CID 95615058) is [(3R)-oxolan-3-yl] 2-chlorobenzoate.
What is the SMILES notation for [(3R)-oxolan-3-yl] 2-chlorobenzoate?
The canonical SMILES for [(3R)-oxolan-3-yl] 2-chlorobenzoate is O=C(O[C@@H]1CCOC1)c1ccccc1Cl.
What is the InChIKey of [(3R)-oxolan-3-yl] 2-chlorobenzoate?
The InChIKey is DVBQURLAOSRSND-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H11ClO3/c12-10-4-2-1-3-9(10)11(13)15-8-5-6-14-7-8/h1-4,8H,5-7H2/t8-/m1/s1.
What are the key properties of [(3R)-oxolan-3-yl] 2-chlorobenzoate?
[(3R)-oxolan-3-yl] 2-chlorobenzoate has a molecular weight of 226.66 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-oxolan-3-yl] 2-chlorobenzoate is sourced from PubChem (CID 95615058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).