1-(5-oxooxolan-2-yl)ethyl 2-phenylacetate

C14H16O4 — CID 91254429

IUPAC1-(5-oxooxolan-2-yl)ethyl 2-phenylacetate
SMILESCC(OC(=O)Cc1ccccc1)C1CCC(=O)O1
InChIInChI=1S/C14H16O4/c1-10(12-7-8-13(15)18-12)17-14(16)9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3
InChIKeyKSRUIGADACUQJD-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.87
Rot. Bonds4

About 1-(5-oxooxolan-2-yl)ethyl 2-phenylacetate

1-(5-oxooxolan-2-yl)ethyl 2-phenylacetate (PubChem CID 91254429) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-(5-oxooxolan-2-yl)ethyl 2-phenylacetate.

Molecular Properties

Compound Name1-(5-oxooxolan-2-yl)ethyl 2-phenylacetate
PubChem CID91254429
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name1-(5-oxooxolan-2-yl)ethyl 2-phenylacetate
SMILESCC(OC(=O)Cc1ccccc1)C1CCC(=O)O1
InChIInChI=1S/C14H16O4/c1-10(12-7-8-13(15)18-12)17-14(16)9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3
InChIKeyKSRUIGADACUQJD-UHFFFAOYSA-N
XLogP1.87
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Isopropyl Phenylacetate
CID 62553
Isoamyl phenylacetate
CID 7600
Isobutyl phenylacetate
CID 60998
Hexyl phenylacetate
CID 221691
Butyl phenylacetate
CID 31210
Octyl phenylacetate
CID 61050
3-Hexenyl phenylacetate, (3Z)-
CID 5367698
Pentyl phenylacetate
CID 98492
Benzeneacetic acid, (tetrahydro-2-furanyl)methyl ester
CID 95395
Benzeneacetic acid, cyclohexyl ester
CID 96325
Heptyl phenylacetate
CID 101315
Benzeneacetic acid, nonyl ester
CID 562667

Frequently Asked Questions

What is the IUPAC name of 1-(5-oxooxolan-2-yl)ethyl 2-phenylacetate?
The IUPAC name of 1-(5-oxooxolan-2-yl)ethyl 2-phenylacetate (CID 91254429) is 1-(5-oxooxolan-2-yl)ethyl 2-phenylacetate.
What is the SMILES notation for 1-(5-oxooxolan-2-yl)ethyl 2-phenylacetate?
The canonical SMILES for 1-(5-oxooxolan-2-yl)ethyl 2-phenylacetate is CC(OC(=O)Cc1ccccc1)C1CCC(=O)O1.
What is the InChIKey of 1-(5-oxooxolan-2-yl)ethyl 2-phenylacetate?
The InChIKey is KSRUIGADACUQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c1-10(12-7-8-13(15)18-12)17-14(16)9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3.
What are the key properties of 1-(5-oxooxolan-2-yl)ethyl 2-phenylacetate?
1-(5-oxooxolan-2-yl)ethyl 2-phenylacetate has a molecular weight of 248.28 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-oxooxolan-2-yl)ethyl 2-phenylacetate is sourced from PubChem (CID 91254429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).