5-(2-phenylethyl)oxolan-3-one

C12H14O2 — CID 135080332

IUPAC5-(2-phenylethyl)oxolan-3-one
SMILESO=C1COC(CCc2ccccc2)C1
InChIInChI=1S/C12H14O2/c13-11-8-12(14-9-11)7-6-10-4-2-1-3-5-10/h1-5,12H,6-9H2
InChIKeyJNKZYSZWBCDLLG-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.98
Rot. Bonds3

About 5-(2-phenylethyl)oxolan-3-one

5-(2-phenylethyl)oxolan-3-one (PubChem CID 135080332) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 5-(2-phenylethyl)oxolan-3-one.

Molecular Properties

Compound Name5-(2-phenylethyl)oxolan-3-one
PubChem CID135080332
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name5-(2-phenylethyl)oxolan-3-one
SMILESO=C1COC(CCc2ccccc2)C1
InChIInChI=1S/C12H14O2/c13-11-8-12(14-9-11)7-6-10-4-2-1-3-5-10/h1-5,12H,6-9H2
InChIKeyJNKZYSZWBCDLLG-UHFFFAOYSA-N
XLogP1.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl alpha-benzylacetoacetate
CID 246929
Ethyl alpha-oxobenzenebutanoate
CID 562087
5-Methoxy-1,7-diphenyl-3-heptanone
CID 5319430
Methyl 2-oxo-3-phenylpropanoate
CID 562359
2,2-Dimethyl-5-phenyloxolan-3-one
CID 568892
Ethyl 2-oxo-3-phenylpropanoate
CID 12292599
(5s)-5-Methoxy-1,7-diphenylhept-3-one
CID 26437440
1-Hydroxy-5-phenyl-3-pentanone
CID 15316212
Ethyl 3-oxo-5-phenylpentanoate
CID 61162
5-Benzyl-4-phenyloxolane-2,3-dione
CID 226677
Ethyl 3-(2-phenylethyl)oxirane-2-carboxylate
CID 12714568
6-Methoxy-1,8-diphenyloctan-4-one
CID 24881817

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylethyl)oxolan-3-one?
The IUPAC name of 5-(2-phenylethyl)oxolan-3-one (CID 135080332) is 5-(2-phenylethyl)oxolan-3-one.
What is the SMILES notation for 5-(2-phenylethyl)oxolan-3-one?
The canonical SMILES for 5-(2-phenylethyl)oxolan-3-one is O=C1COC(CCc2ccccc2)C1.
What is the InChIKey of 5-(2-phenylethyl)oxolan-3-one?
The InChIKey is JNKZYSZWBCDLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c13-11-8-12(14-9-11)7-6-10-4-2-1-3-5-10/h1-5,12H,6-9H2.
What are the key properties of 5-(2-phenylethyl)oxolan-3-one?
5-(2-phenylethyl)oxolan-3-one has a molecular weight of 190.24 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethyl)oxolan-3-one is sourced from PubChem (CID 135080332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).