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

C17H16O3 — CID 142700385

IUPAC3-(4-benzylphenoxy)oxolan-2-one
SMILESO=C1OCCC1Oc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C17H16O3/c18-17-16(10-11-19-17)20-15-8-6-14(7-9-15)12-13-4-2-1-3-5-13/h1-9,16H,10-12H2
InChIKeyOVCAHTFVGGGWOJ-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.97
Rot. Bonds4

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

3-(4-benzylphenoxy)oxolan-2-one (PubChem CID 142700385) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 3-(4-benzylphenoxy)oxolan-2-one.

Molecular Properties

Compound Name3-(4-benzylphenoxy)oxolan-2-one
PubChem CID142700385
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name3-(4-benzylphenoxy)oxolan-2-one
SMILESO=C1OCCC1Oc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C17H16O3/c18-17-16(10-11-19-17)20-15-8-6-14(7-9-15)12-13-4-2-1-3-5-13/h1-9,16H,10-12H2
InChIKeyOVCAHTFVGGGWOJ-UHFFFAOYSA-N
XLogP2.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylphenoxy)oxolan-2-one?
The IUPAC name of 3-(4-benzylphenoxy)oxolan-2-one (CID 142700385) is 3-(4-benzylphenoxy)oxolan-2-one.
What is the SMILES notation for 3-(4-benzylphenoxy)oxolan-2-one?
The canonical SMILES for 3-(4-benzylphenoxy)oxolan-2-one is O=C1OCCC1Oc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 3-(4-benzylphenoxy)oxolan-2-one?
The InChIKey is OVCAHTFVGGGWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c18-17-16(10-11-19-17)20-15-8-6-14(7-9-15)12-13-4-2-1-3-5-13/h1-9,16H,10-12H2.
What are the key properties of 3-(4-benzylphenoxy)oxolan-2-one?
3-(4-benzylphenoxy)oxolan-2-one has a molecular weight of 268.31 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylphenoxy)oxolan-2-one is sourced from PubChem (CID 142700385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).