(5-methyl-2-oxooxolan-3-yl) 2-phenylacetate

C13H14O4 — CID 55377308

IUPAC(5-methyl-2-oxooxolan-3-yl) 2-phenylacetate
SMILESCC1CC(OC(=O)Cc2ccccc2)C(=O)O1
InChIInChI=1S/C13H14O4/c1-9-7-11(13(15)16-9)17-12(14)8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3
InChIKeyOXNCOMTTXXNWGB-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.48
Rot. Bonds3

About (5-methyl-2-oxooxolan-3-yl) 2-phenylacetate

(5-methyl-2-oxooxolan-3-yl) 2-phenylacetate (PubChem CID 55377308) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is (5-methyl-2-oxooxolan-3-yl) 2-phenylacetate.

Molecular Properties

Compound Name(5-methyl-2-oxooxolan-3-yl) 2-phenylacetate
PubChem CID55377308
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name(5-methyl-2-oxooxolan-3-yl) 2-phenylacetate
SMILESCC1CC(OC(=O)Cc2ccccc2)C(=O)O1
InChIInChI=1S/C13H14O4/c1-9-7-11(13(15)16-9)17-12(14)8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3
InChIKeyOXNCOMTTXXNWGB-UHFFFAOYSA-N
XLogP1.48
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-oxooxolan-3-yl) 2-phenylacetate?
The IUPAC name of (5-methyl-2-oxooxolan-3-yl) 2-phenylacetate (CID 55377308) is (5-methyl-2-oxooxolan-3-yl) 2-phenylacetate.
What is the SMILES notation for (5-methyl-2-oxooxolan-3-yl) 2-phenylacetate?
The canonical SMILES for (5-methyl-2-oxooxolan-3-yl) 2-phenylacetate is CC1CC(OC(=O)Cc2ccccc2)C(=O)O1.
What is the InChIKey of (5-methyl-2-oxooxolan-3-yl) 2-phenylacetate?
The InChIKey is OXNCOMTTXXNWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O4/c1-9-7-11(13(15)16-9)17-12(14)8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3.
What are the key properties of (5-methyl-2-oxooxolan-3-yl) 2-phenylacetate?
(5-methyl-2-oxooxolan-3-yl) 2-phenylacetate has a molecular weight of 234.25 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-oxooxolan-3-yl) 2-phenylacetate is sourced from PubChem (CID 55377308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).