4-(furan-2-yl)-5-phenyloxolan-2-one

C14H12O3 — CID 144706049

IUPAC4-(furan-2-yl)-5-phenyloxolan-2-one
SMILESO=C1CC(c2ccco2)C(c2ccccc2)O1
InChIInChI=1S/C14H12O3/c15-13-9-11(12-7-4-8-16-12)14(17-13)10-5-2-1-3-6-10/h1-8,11,14H,9H2
InChIKeyKTRGHEDMEWRLHK-UHFFFAOYSA-N
MW228.25 g/mol
LogP3.05
Rot. Bonds2

About 4-(furan-2-yl)-5-phenyloxolan-2-one

4-(furan-2-yl)-5-phenyloxolan-2-one (PubChem CID 144706049) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-(furan-2-yl)-5-phenyloxolan-2-one.

Molecular Properties

Compound Name4-(furan-2-yl)-5-phenyloxolan-2-one
PubChem CID144706049
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name4-(furan-2-yl)-5-phenyloxolan-2-one
SMILESO=C1CC(c2ccco2)C(c2ccccc2)O1
InChIInChI=1S/C14H12O3/c15-13-9-11(12-7-4-8-16-12)14(17-13)10-5-2-1-3-6-10/h1-8,11,14H,9H2
InChIKeyKTRGHEDMEWRLHK-UHFFFAOYSA-N
XLogP3.05
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-5-phenyloxolan-2-one?
The IUPAC name of 4-(furan-2-yl)-5-phenyloxolan-2-one (CID 144706049) is 4-(furan-2-yl)-5-phenyloxolan-2-one.
What is the SMILES notation for 4-(furan-2-yl)-5-phenyloxolan-2-one?
The canonical SMILES for 4-(furan-2-yl)-5-phenyloxolan-2-one is O=C1CC(c2ccco2)C(c2ccccc2)O1.
What is the InChIKey of 4-(furan-2-yl)-5-phenyloxolan-2-one?
The InChIKey is KTRGHEDMEWRLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c15-13-9-11(12-7-4-8-16-12)14(17-13)10-5-2-1-3-6-10/h1-8,11,14H,9H2.
What are the key properties of 4-(furan-2-yl)-5-phenyloxolan-2-one?
4-(furan-2-yl)-5-phenyloxolan-2-one has a molecular weight of 228.25 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-5-phenyloxolan-2-one is sourced from PubChem (CID 144706049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).