3,4-dibenzyloxolan-2-one

C18H18O2 — CID 14546897

IUPAC3,4-dibenzyloxolan-2-one
SMILESO=C1OCC(Cc2ccccc2)C1Cc1ccccc1
InChIInChI=1S/C18H18O2/c19-18-17(12-15-9-5-2-6-10-15)16(13-20-18)11-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2
InChIKeyQELUJSMWHDHUTE-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.26
Rot. Bonds4

About 3,4-dibenzyloxolan-2-one

3,4-dibenzyloxolan-2-one (PubChem CID 14546897) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3,4-dibenzyloxolan-2-one.

Molecular Properties

Compound Name3,4-dibenzyloxolan-2-one
PubChem CID14546897
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name3,4-dibenzyloxolan-2-one
SMILESO=C1OCC(Cc2ccccc2)C1Cc1ccccc1
InChIInChI=1S/C18H18O2/c19-18-17(12-15-9-5-2-6-10-15)16(13-20-18)11-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2
InChIKeyQELUJSMWHDHUTE-UHFFFAOYSA-N
XLogP3.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dibenzyloxolan-2-one?
The IUPAC name of 3,4-dibenzyloxolan-2-one (CID 14546897) is 3,4-dibenzyloxolan-2-one.
What is the SMILES notation for 3,4-dibenzyloxolan-2-one?
The canonical SMILES for 3,4-dibenzyloxolan-2-one is O=C1OCC(Cc2ccccc2)C1Cc1ccccc1.
What is the InChIKey of 3,4-dibenzyloxolan-2-one?
The InChIKey is QELUJSMWHDHUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c19-18-17(12-15-9-5-2-6-10-15)16(13-20-18)11-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2.
What are the key properties of 3,4-dibenzyloxolan-2-one?
3,4-dibenzyloxolan-2-one has a molecular weight of 266.34 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibenzyloxolan-2-one is sourced from PubChem (CID 14546897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).