3-methyl-3-phenyloxolan-2-one

C11H12O2 — CID 15937425

IUPAC3-methyl-3-phenyloxolan-2-one
SMILESCC1(c2ccccc2)CCOC1=O
InChIInChI=1S/C11H12O2/c1-11(7-8-13-10(11)12)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyUZSHKLDKZNMORJ-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.89
Rot. Bonds1

About 3-methyl-3-phenyloxolan-2-one

3-methyl-3-phenyloxolan-2-one (PubChem CID 15937425) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-methyl-3-phenyloxolan-2-one.

Molecular Properties

Compound Name3-methyl-3-phenyloxolan-2-one
PubChem CID15937425
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name3-methyl-3-phenyloxolan-2-one
SMILESCC1(c2ccccc2)CCOC1=O
InChIInChI=1S/C11H12O2/c1-11(7-8-13-10(11)12)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyUZSHKLDKZNMORJ-UHFFFAOYSA-N
XLogP1.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-phenyloxolan-2-one?
The IUPAC name of 3-methyl-3-phenyloxolan-2-one (CID 15937425) is 3-methyl-3-phenyloxolan-2-one.
What is the SMILES notation for 3-methyl-3-phenyloxolan-2-one?
The canonical SMILES for 3-methyl-3-phenyloxolan-2-one is CC1(c2ccccc2)CCOC1=O.
What is the InChIKey of 3-methyl-3-phenyloxolan-2-one?
The InChIKey is UZSHKLDKZNMORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-11(7-8-13-10(11)12)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3.
What are the key properties of 3-methyl-3-phenyloxolan-2-one?
3-methyl-3-phenyloxolan-2-one has a molecular weight of 176.22 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-phenyloxolan-2-one is sourced from PubChem (CID 15937425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).