oxolan-2-yl 2-phenylacetate

C12H14O3 — CID 22711565

IUPACoxolan-2-yl 2-phenylacetate
SMILESO=C(Cc1ccccc1)OC1CCCO1
InChIInChI=1S/C12H14O3/c13-11(15-12-7-4-8-14-12)9-10-5-2-1-3-6-10/h1-3,5-6,12H,4,7-9H2
InChIKeyRGZDTFPEXSAHAX-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.91
Rot. Bonds3

About oxolan-2-yl 2-phenylacetate

oxolan-2-yl 2-phenylacetate (PubChem CID 22711565) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is oxolan-2-yl 2-phenylacetate.

Molecular Properties

Compound Nameoxolan-2-yl 2-phenylacetate
PubChem CID22711565
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Nameoxolan-2-yl 2-phenylacetate
SMILESO=C(Cc1ccccc1)OC1CCCO1
InChIInChI=1S/C12H14O3/c13-11(15-12-7-4-8-14-12)9-10-5-2-1-3-6-10/h1-3,5-6,12H,4,7-9H2
InChIKeyRGZDTFPEXSAHAX-UHFFFAOYSA-N
XLogP1.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl 2-phenylacetate?
The IUPAC name of oxolan-2-yl 2-phenylacetate (CID 22711565) is oxolan-2-yl 2-phenylacetate.
What is the SMILES notation for oxolan-2-yl 2-phenylacetate?
The canonical SMILES for oxolan-2-yl 2-phenylacetate is O=C(Cc1ccccc1)OC1CCCO1.
What is the InChIKey of oxolan-2-yl 2-phenylacetate?
The InChIKey is RGZDTFPEXSAHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c13-11(15-12-7-4-8-14-12)9-10-5-2-1-3-6-10/h1-3,5-6,12H,4,7-9H2.
What are the key properties of oxolan-2-yl 2-phenylacetate?
oxolan-2-yl 2-phenylacetate has a molecular weight of 206.24 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl 2-phenylacetate is sourced from PubChem (CID 22711565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).