[(1R)-1-[(2R)-5-oxooxolan-2-yl]ethyl] 2-phenylacetate

C14H16O4 — CID 139587139

IUPAC[(1R)-1-[(2R)-5-oxooxolan-2-yl]ethyl] 2-phenylacetate
SMILESC[C@@H](OC(=O)Cc1ccccc1)[C@H]1CCC(=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/t10-,12-/m1/s1
InChIKeyKSRUIGADACUQJD-ZYHUDNBSSA-N
MW248.28 g/mol
LogP1.87
Rot. Bonds4

About [(1R)-1-[(2R)-5-oxooxolan-2-yl]ethyl] 2-phenylacetate

[(1R)-1-[(2R)-5-oxooxolan-2-yl]ethyl] 2-phenylacetate (PubChem CID 139587139) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is [(1R)-1-[(2R)-5-oxooxolan-2-yl]ethyl] 2-phenylacetate.

Molecular Properties

Compound Name[(1R)-1-[(2R)-5-oxooxolan-2-yl]ethyl] 2-phenylacetate
PubChem CID139587139
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name[(1R)-1-[(2R)-5-oxooxolan-2-yl]ethyl] 2-phenylacetate
SMILESC[C@@H](OC(=O)Cc1ccccc1)[C@H]1CCC(=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/t10-,12-/m1/s1
InChIKeyKSRUIGADACUQJD-ZYHUDNBSSA-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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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[(2R)-5-oxooxolan-2-yl]ethyl] 2-phenylacetate?
The IUPAC name of [(1R)-1-[(2R)-5-oxooxolan-2-yl]ethyl] 2-phenylacetate (CID 139587139) is [(1R)-1-[(2R)-5-oxooxolan-2-yl]ethyl] 2-phenylacetate.
What is the SMILES notation for [(1R)-1-[(2R)-5-oxooxolan-2-yl]ethyl] 2-phenylacetate?
The canonical SMILES for [(1R)-1-[(2R)-5-oxooxolan-2-yl]ethyl] 2-phenylacetate is C[C@@H](OC(=O)Cc1ccccc1)[C@H]1CCC(=O)O1.
What is the InChIKey of [(1R)-1-[(2R)-5-oxooxolan-2-yl]ethyl] 2-phenylacetate?
The InChIKey is KSRUIGADACUQJD-ZYHUDNBSSA-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/t10-,12-/m1/s1.
What are the key properties of [(1R)-1-[(2R)-5-oxooxolan-2-yl]ethyl] 2-phenylacetate?
[(1R)-1-[(2R)-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 [(1R)-1-[(2R)-5-oxooxolan-2-yl]ethyl] 2-phenylacetate is sourced from PubChem (CID 139587139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).