2,5-diphenyloxolane

C16H16O — CID 576417

IUPAC2,5-diphenyloxolane
SMILESc1ccc(C2CCC(c3ccccc3)O2)cc1
InChIInChI=1S/C16H16O/c1-3-7-13(8-4-1)15-11-12-16(17-15)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
InChIKeyZKTQNVXLUVNDFA-UHFFFAOYSA-N
MW224.30 g/mol
LogP4.28
Rot. Bonds2

About 2,5-diphenyloxolane

2,5-diphenyloxolane (PubChem CID 576417) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 2,5-diphenyloxolane.

Molecular Properties

Compound Name2,5-diphenyloxolane
PubChem CID576417
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name2,5-diphenyloxolane
SMILESc1ccc(C2CCC(c3ccccc3)O2)cc1
InChIInChI=1S/C16H16O/c1-3-7-13(8-4-1)15-11-12-16(17-15)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
InChIKeyZKTQNVXLUVNDFA-UHFFFAOYSA-N
XLogP4.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-diphenyloxolane?
The IUPAC name of 2,5-diphenyloxolane (CID 576417) is 2,5-diphenyloxolane.
What is the SMILES notation for 2,5-diphenyloxolane?
The canonical SMILES for 2,5-diphenyloxolane is c1ccc(C2CCC(c3ccccc3)O2)cc1.
What is the InChIKey of 2,5-diphenyloxolane?
The InChIKey is ZKTQNVXLUVNDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c1-3-7-13(8-4-1)15-11-12-16(17-15)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2.
What are the key properties of 2,5-diphenyloxolane?
2,5-diphenyloxolane has a molecular weight of 224.30 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenyloxolane is sourced from PubChem (CID 576417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).