4,4-diphenyloxolan-2-one

C16H14O2 — CID 11379411

IUPAC4,4-diphenyloxolan-2-one
SMILESO=C1CC(c2ccccc2)(c2ccccc2)CO1
InChIInChI=1S/C16H14O2/c17-15-11-16(12-18-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyPEDMNUSVVFKDKG-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.92
Rot. Bonds2

About 4,4-diphenyloxolan-2-one

4,4-diphenyloxolan-2-one (PubChem CID 11379411) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4,4-diphenyloxolan-2-one.

Molecular Properties

Compound Name4,4-diphenyloxolan-2-one
PubChem CID11379411
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name4,4-diphenyloxolan-2-one
SMILESO=C1CC(c2ccccc2)(c2ccccc2)CO1
InChIInChI=1S/C16H14O2/c17-15-11-16(12-18-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyPEDMNUSVVFKDKG-UHFFFAOYSA-N
XLogP2.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-diphenyloxolan-2-one?
The IUPAC name of 4,4-diphenyloxolan-2-one (CID 11379411) is 4,4-diphenyloxolan-2-one.
What is the SMILES notation for 4,4-diphenyloxolan-2-one?
The canonical SMILES for 4,4-diphenyloxolan-2-one is O=C1CC(c2ccccc2)(c2ccccc2)CO1.
What is the InChIKey of 4,4-diphenyloxolan-2-one?
The InChIKey is PEDMNUSVVFKDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c17-15-11-16(12-18-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2.
What are the key properties of 4,4-diphenyloxolan-2-one?
4,4-diphenyloxolan-2-one has a molecular weight of 238.29 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diphenyloxolan-2-one is sourced from PubChem (CID 11379411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).