methyl 2-(oxolan-2-yl)-2-phenylacetate

C13H16O3 — CID 10632716

IUPACmethyl 2-(oxolan-2-yl)-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)C1CCCO1
InChIInChI=1S/C13H16O3/c1-15-13(14)12(11-8-5-9-16-11)10-6-3-2-4-7-10/h2-4,6-7,11-12H,5,8-9H2,1H3
InChIKeyQEEYSZONWFQXMO-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.12
Rot. Bonds3

About methyl 2-(oxolan-2-yl)-2-phenylacetate

methyl 2-(oxolan-2-yl)-2-phenylacetate (PubChem CID 10632716) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is methyl 2-(oxolan-2-yl)-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-(oxolan-2-yl)-2-phenylacetate
PubChem CID10632716
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Namemethyl 2-(oxolan-2-yl)-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)C1CCCO1
InChIInChI=1S/C13H16O3/c1-15-13(14)12(11-8-5-9-16-11)10-6-3-2-4-7-10/h2-4,6-7,11-12H,5,8-9H2,1H3
InChIKeyQEEYSZONWFQXMO-UHFFFAOYSA-N
XLogP2.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(oxolan-2-yl)-2-phenylacetate?
The IUPAC name of methyl 2-(oxolan-2-yl)-2-phenylacetate (CID 10632716) is methyl 2-(oxolan-2-yl)-2-phenylacetate.
What is the SMILES notation for methyl 2-(oxolan-2-yl)-2-phenylacetate?
The canonical SMILES for methyl 2-(oxolan-2-yl)-2-phenylacetate is COC(=O)C(c1ccccc1)C1CCCO1.
What is the InChIKey of methyl 2-(oxolan-2-yl)-2-phenylacetate?
The InChIKey is QEEYSZONWFQXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-15-13(14)12(11-8-5-9-16-11)10-6-3-2-4-7-10/h2-4,6-7,11-12H,5,8-9H2,1H3.
What are the key properties of methyl 2-(oxolan-2-yl)-2-phenylacetate?
methyl 2-(oxolan-2-yl)-2-phenylacetate has a molecular weight of 220.27 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(oxolan-2-yl)-2-phenylacetate is sourced from PubChem (CID 10632716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).