(2-oxooxolan-3-yl) 2,2-diphenylacetate

C18H16O4 — CID 3920967

IUPAC(2-oxooxolan-3-yl) 2,2-diphenylacetate
SMILESO=C1OCCC1OC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16O4/c19-17-15(11-12-21-17)22-18(20)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
InChIKeyAGUQXUUNUNQRNC-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.68
Rot. Bonds4

About (2-oxooxolan-3-yl) 2,2-diphenylacetate

(2-oxooxolan-3-yl) 2,2-diphenylacetate (PubChem CID 3920967) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 2,2-diphenylacetate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 2,2-diphenylacetate
PubChem CID3920967
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name(2-oxooxolan-3-yl) 2,2-diphenylacetate
SMILESO=C1OCCC1OC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16O4/c19-17-15(11-12-21-17)22-18(20)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
InChIKeyAGUQXUUNUNQRNC-UHFFFAOYSA-N
XLogP2.68
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 2,2-diphenylacetate?
The IUPAC name of (2-oxooxolan-3-yl) 2,2-diphenylacetate (CID 3920967) is (2-oxooxolan-3-yl) 2,2-diphenylacetate.
What is the SMILES notation for (2-oxooxolan-3-yl) 2,2-diphenylacetate?
The canonical SMILES for (2-oxooxolan-3-yl) 2,2-diphenylacetate is O=C1OCCC1OC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-oxooxolan-3-yl) 2,2-diphenylacetate?
The InChIKey is AGUQXUUNUNQRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c19-17-15(11-12-21-17)22-18(20)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2.
What are the key properties of (2-oxooxolan-3-yl) 2,2-diphenylacetate?
(2-oxooxolan-3-yl) 2,2-diphenylacetate has a molecular weight of 296.32 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 2,2-diphenylacetate is sourced from PubChem (CID 3920967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).