[(3R)-2-oxooxolan-3-yl] 4-(hydroxymethyl)benzoate

C12H12O5 — CID 2538214

IUPAC[(3R)-2-oxooxolan-3-yl] 4-(hydroxymethyl)benzoate
SMILESO=C(O[C@@H]1CCOC1=O)c1ccc(CO)cc1
InChIInChI=1S/C12H12O5/c13-7-8-1-3-9(4-2-8)11(14)17-10-5-6-16-12(10)15/h1-4,10,13H,5-7H2/t10-/m1/s1
InChIKeyGSFOIFZWPCDDBU-SNVBAGLBSA-N
MW236.22 g/mol
LogP0.65
Rot. Bonds3

About [(3R)-2-oxooxolan-3-yl] 4-(hydroxymethyl)benzoate

[(3R)-2-oxooxolan-3-yl] 4-(hydroxymethyl)benzoate (PubChem CID 2538214) has the molecular formula C12H12O5 and a molecular weight of 236.22 g/mol. Its IUPAC name is [(3R)-2-oxooxolan-3-yl] 4-(hydroxymethyl)benzoate.

Molecular Properties

Compound Name[(3R)-2-oxooxolan-3-yl] 4-(hydroxymethyl)benzoate
PubChem CID2538214
Molecular FormulaC12H12O5
Molecular Weight236.22 g/mol
Exact Mass236.07
IUPAC Name[(3R)-2-oxooxolan-3-yl] 4-(hydroxymethyl)benzoate
SMILESO=C(O[C@@H]1CCOC1=O)c1ccc(CO)cc1
InChIInChI=1S/C12H12O5/c13-7-8-1-3-9(4-2-8)11(14)17-10-5-6-16-12(10)15/h1-4,10,13H,5-7H2/t10-/m1/s1
InChIKeyGSFOIFZWPCDDBU-SNVBAGLBSA-N
XLogP0.65
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R)-2-oxooxolan-3-yl] 4-(hydroxymethyl)benzoate?
The IUPAC name of [(3R)-2-oxooxolan-3-yl] 4-(hydroxymethyl)benzoate (CID 2538214) is [(3R)-2-oxooxolan-3-yl] 4-(hydroxymethyl)benzoate.
What is the SMILES notation for [(3R)-2-oxooxolan-3-yl] 4-(hydroxymethyl)benzoate?
The canonical SMILES for [(3R)-2-oxooxolan-3-yl] 4-(hydroxymethyl)benzoate is O=C(O[C@@H]1CCOC1=O)c1ccc(CO)cc1.
What is the InChIKey of [(3R)-2-oxooxolan-3-yl] 4-(hydroxymethyl)benzoate?
The InChIKey is GSFOIFZWPCDDBU-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H12O5/c13-7-8-1-3-9(4-2-8)11(14)17-10-5-6-16-12(10)15/h1-4,10,13H,5-7H2/t10-/m1/s1.
What are the key properties of [(3R)-2-oxooxolan-3-yl] 4-(hydroxymethyl)benzoate?
[(3R)-2-oxooxolan-3-yl] 4-(hydroxymethyl)benzoate has a molecular weight of 236.22 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2-oxooxolan-3-yl] 4-(hydroxymethyl)benzoate is sourced from PubChem (CID 2538214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).