3-benzyl-3-hydroxyoxolan-2-one

C11H12O3 — CID 59511546

IUPAC3-benzyl-3-hydroxyoxolan-2-one
SMILESO=C1OCCC1(O)Cc1ccccc1
InChIInChI=1S/C11H12O3/c12-10-11(13,6-7-14-10)8-9-4-2-1-3-5-9/h1-5,13H,6-8H2
InChIKeyOLKXWVMGAXHSFF-UHFFFAOYSA-N
MW192.21 g/mol
LogP0.91
Rot. Bonds2

About 3-benzyl-3-hydroxyoxolan-2-one

3-benzyl-3-hydroxyoxolan-2-one (PubChem CID 59511546) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 3-benzyl-3-hydroxyoxolan-2-one.

Molecular Properties

Compound Name3-benzyl-3-hydroxyoxolan-2-one
PubChem CID59511546
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name3-benzyl-3-hydroxyoxolan-2-one
SMILESO=C1OCCC1(O)Cc1ccccc1
InChIInChI=1S/C11H12O3/c12-10-11(13,6-7-14-10)8-9-4-2-1-3-5-9/h1-5,13H,6-8H2
InChIKeyOLKXWVMGAXHSFF-UHFFFAOYSA-N
XLogP0.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-3-hydroxyoxolan-2-one?
The IUPAC name of 3-benzyl-3-hydroxyoxolan-2-one (CID 59511546) is 3-benzyl-3-hydroxyoxolan-2-one.
What is the SMILES notation for 3-benzyl-3-hydroxyoxolan-2-one?
The canonical SMILES for 3-benzyl-3-hydroxyoxolan-2-one is O=C1OCCC1(O)Cc1ccccc1.
What is the InChIKey of 3-benzyl-3-hydroxyoxolan-2-one?
The InChIKey is OLKXWVMGAXHSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c12-10-11(13,6-7-14-10)8-9-4-2-1-3-5-9/h1-5,13H,6-8H2.
What are the key properties of 3-benzyl-3-hydroxyoxolan-2-one?
3-benzyl-3-hydroxyoxolan-2-one has a molecular weight of 192.21 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-3-hydroxyoxolan-2-one is sourced from PubChem (CID 59511546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).