5-phenyloxolan-3-one

C10H10O2 — CID 15310463

IUPAC5-phenyloxolan-3-one
SMILESO=C1COC(c2ccccc2)C1
InChIInChI=1S/C10H10O2/c11-9-6-10(12-7-9)8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKeyJQLBLPDNRKSRDY-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.72
Rot. Bonds1

About 5-phenyloxolan-3-one

5-phenyloxolan-3-one (PubChem CID 15310463) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 5-phenyloxolan-3-one.

Molecular Properties

Compound Name5-phenyloxolan-3-one
PubChem CID15310463
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name5-phenyloxolan-3-one
SMILESO=C1COC(c2ccccc2)C1
InChIInChI=1S/C10H10O2/c11-9-6-10(12-7-9)8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKeyJQLBLPDNRKSRDY-UHFFFAOYSA-N
XLogP1.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl 3-phenylglycidate
CID 8469
Chalcone epoxide
CID 92219
METHYL beta-PHENYLGLYCIDATE
CID 86834
gamma-Phenyl-gamma-butyrolactone
CID 13884
Butanoic acid, 3-oxo-, 1-phenylethyl ester
CID 38515
1-(Benzyloxy)propan-2-one
CID 3691284
methyl (2S,3S)-3-phenyloxirane-2-carboxylate
CID 146578
2(3H)-Furanone, dihydro-3-methylene-5-phenyl-
CID 176437
2,2-Dimethyl-5-phenyloxolan-3-one
CID 568892
2-Furoic acid, tetrahydro-5-oxo-2-phenyl-, methyl ester
CID 123302
4-Acetyl-5-phenyloxolan-2-one
CID 3040835
rac-(2R,3S)-2-benzoyl-3-phenyloxirane
CID 728562

Frequently Asked Questions

What is the IUPAC name of 5-phenyloxolan-3-one?
The IUPAC name of 5-phenyloxolan-3-one (CID 15310463) is 5-phenyloxolan-3-one.
What is the SMILES notation for 5-phenyloxolan-3-one?
The canonical SMILES for 5-phenyloxolan-3-one is O=C1COC(c2ccccc2)C1.
What is the InChIKey of 5-phenyloxolan-3-one?
The InChIKey is JQLBLPDNRKSRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c11-9-6-10(12-7-9)8-4-2-1-3-5-8/h1-5,10H,6-7H2.
What are the key properties of 5-phenyloxolan-3-one?
5-phenyloxolan-3-one has a molecular weight of 162.19 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyloxolan-3-one is sourced from PubChem (CID 15310463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).