5-ethyl-3-phenoxy-3-phenyloxolan-2-one

C18H18O3 — CID 150715290

IUPAC5-ethyl-3-phenoxy-3-phenyloxolan-2-one
SMILESCCC1CC(Oc2ccccc2)(c2ccccc2)C(=O)O1
InChIInChI=1S/C18H18O3/c1-2-15-13-18(17(19)20-15,14-9-5-3-6-10-14)21-16-11-7-4-8-12-16/h3-12,15H,2,13H2,1H3
InChIKeyJOTAWCSPLMEZAR-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.69
Rot. Bonds4

About 5-ethyl-3-phenoxy-3-phenyloxolan-2-one

5-ethyl-3-phenoxy-3-phenyloxolan-2-one (PubChem CID 150715290) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 5-ethyl-3-phenoxy-3-phenyloxolan-2-one.

Molecular Properties

Compound Name5-ethyl-3-phenoxy-3-phenyloxolan-2-one
PubChem CID150715290
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name5-ethyl-3-phenoxy-3-phenyloxolan-2-one
SMILESCCC1CC(Oc2ccccc2)(c2ccccc2)C(=O)O1
InChIInChI=1S/C18H18O3/c1-2-15-13-18(17(19)20-15,14-9-5-3-6-10-14)21-16-11-7-4-8-12-16/h3-12,15H,2,13H2,1H3
InChIKeyJOTAWCSPLMEZAR-UHFFFAOYSA-N
XLogP3.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-phenoxy-3-phenyloxolan-2-one?
The IUPAC name of 5-ethyl-3-phenoxy-3-phenyloxolan-2-one (CID 150715290) is 5-ethyl-3-phenoxy-3-phenyloxolan-2-one.
What is the SMILES notation for 5-ethyl-3-phenoxy-3-phenyloxolan-2-one?
The canonical SMILES for 5-ethyl-3-phenoxy-3-phenyloxolan-2-one is CCC1CC(Oc2ccccc2)(c2ccccc2)C(=O)O1.
What is the InChIKey of 5-ethyl-3-phenoxy-3-phenyloxolan-2-one?
The InChIKey is JOTAWCSPLMEZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-2-15-13-18(17(19)20-15,14-9-5-3-6-10-14)21-16-11-7-4-8-12-16/h3-12,15H,2,13H2,1H3.
What are the key properties of 5-ethyl-3-phenoxy-3-phenyloxolan-2-one?
5-ethyl-3-phenoxy-3-phenyloxolan-2-one has a molecular weight of 282.34 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-phenoxy-3-phenyloxolan-2-one is sourced from PubChem (CID 150715290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).