3-(4-propanoylphenoxy)oxolan-2-one

C13H14O4 — CID 43176443

IUPAC3-(4-propanoylphenoxy)oxolan-2-one
SMILESCCC(=O)c1ccc(OC2CCOC2=O)cc1
InChIInChI=1S/C13H14O4/c1-2-11(14)9-3-5-10(6-4-9)17-12-7-8-16-13(12)15/h3-6,12H,2,7-8H2,1H3
InChIKeyJDFMHJPXTZHKIK-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.97
Rot. Bonds4

About 3-(4-propanoylphenoxy)oxolan-2-one

3-(4-propanoylphenoxy)oxolan-2-one (PubChem CID 43176443) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is 3-(4-propanoylphenoxy)oxolan-2-one.

Molecular Properties

Compound Name3-(4-propanoylphenoxy)oxolan-2-one
PubChem CID43176443
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name3-(4-propanoylphenoxy)oxolan-2-one
SMILESCCC(=O)c1ccc(OC2CCOC2=O)cc1
InChIInChI=1S/C13H14O4/c1-2-11(14)9-3-5-10(6-4-9)17-12-7-8-16-13(12)15/h3-6,12H,2,7-8H2,1H3
InChIKeyJDFMHJPXTZHKIK-UHFFFAOYSA-N
XLogP1.97
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-propanoylphenoxy)oxolan-2-one?
The IUPAC name of 3-(4-propanoylphenoxy)oxolan-2-one (CID 43176443) is 3-(4-propanoylphenoxy)oxolan-2-one.
What is the SMILES notation for 3-(4-propanoylphenoxy)oxolan-2-one?
The canonical SMILES for 3-(4-propanoylphenoxy)oxolan-2-one is CCC(=O)c1ccc(OC2CCOC2=O)cc1.
What is the InChIKey of 3-(4-propanoylphenoxy)oxolan-2-one?
The InChIKey is JDFMHJPXTZHKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O4/c1-2-11(14)9-3-5-10(6-4-9)17-12-7-8-16-13(12)15/h3-6,12H,2,7-8H2,1H3.
What are the key properties of 3-(4-propanoylphenoxy)oxolan-2-one?
3-(4-propanoylphenoxy)oxolan-2-one has a molecular weight of 234.25 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propanoylphenoxy)oxolan-2-one is sourced from PubChem (CID 43176443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).