[2-(4-hydroxyphenoxy)oxolan-3-yl] acetate

C12H14O5 — CID 54441941

IUPAC[2-(4-hydroxyphenoxy)oxolan-3-yl] acetate
SMILESCC(=O)OC1CCOC1Oc1ccc(O)cc1
InChIInChI=1S/C12H14O5/c1-8(13)16-11-6-7-15-12(11)17-10-4-2-9(14)3-5-10/h2-5,11-12,14H,6-7H2,1H3
InChIKeyWOSSMRFGKAADHN-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.45
Rot. Bonds3

About [2-(4-hydroxyphenoxy)oxolan-3-yl] acetate

[2-(4-hydroxyphenoxy)oxolan-3-yl] acetate (PubChem CID 54441941) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is [2-(4-hydroxyphenoxy)oxolan-3-yl] acetate.

Molecular Properties

Compound Name[2-(4-hydroxyphenoxy)oxolan-3-yl] acetate
PubChem CID54441941
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Name[2-(4-hydroxyphenoxy)oxolan-3-yl] acetate
SMILESCC(=O)OC1CCOC1Oc1ccc(O)cc1
InChIInChI=1S/C12H14O5/c1-8(13)16-11-6-7-15-12(11)17-10-4-2-9(14)3-5-10/h2-5,11-12,14H,6-7H2,1H3
InChIKeyWOSSMRFGKAADHN-UHFFFAOYSA-N
XLogP1.45
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-hydroxyphenoxy)oxolan-3-yl] acetate?
The IUPAC name of [2-(4-hydroxyphenoxy)oxolan-3-yl] acetate (CID 54441941) is [2-(4-hydroxyphenoxy)oxolan-3-yl] acetate.
What is the SMILES notation for [2-(4-hydroxyphenoxy)oxolan-3-yl] acetate?
The canonical SMILES for [2-(4-hydroxyphenoxy)oxolan-3-yl] acetate is CC(=O)OC1CCOC1Oc1ccc(O)cc1.
What is the InChIKey of [2-(4-hydroxyphenoxy)oxolan-3-yl] acetate?
The InChIKey is WOSSMRFGKAADHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O5/c1-8(13)16-11-6-7-15-12(11)17-10-4-2-9(14)3-5-10/h2-5,11-12,14H,6-7H2,1H3.
What are the key properties of [2-(4-hydroxyphenoxy)oxolan-3-yl] acetate?
[2-(4-hydroxyphenoxy)oxolan-3-yl] acetate has a molecular weight of 238.24 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-hydroxyphenoxy)oxolan-3-yl] acetate is sourced from PubChem (CID 54441941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).