(5R)-5-methyl-5-phenyloxolan-2-one

C11H12O2 — CID 11030345

IUPAC(5R)-5-methyl-5-phenyloxolan-2-one
SMILESC[C@]1(c2ccccc2)CCC(=O)O1
InChIInChI=1S/C11H12O2/c1-11(8-7-10(12)13-11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3/t11-/m1/s1
InChIKeyJIJBMROEIDUWCW-LLVKDONJSA-N
MW176.22 g/mol
LogP2.24
Rot. Bonds1

About (5R)-5-methyl-5-phenyloxolan-2-one

(5R)-5-methyl-5-phenyloxolan-2-one (PubChem CID 11030345) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is (5R)-5-methyl-5-phenyloxolan-2-one.

Molecular Properties

Compound Name(5R)-5-methyl-5-phenyloxolan-2-one
PubChem CID11030345
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name(5R)-5-methyl-5-phenyloxolan-2-one
SMILESC[C@]1(c2ccccc2)CCC(=O)O1
InChIInChI=1S/C11H12O2/c1-11(8-7-10(12)13-11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3/t11-/m1/s1
InChIKeyJIJBMROEIDUWCW-LLVKDONJSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-5-phenyloxolan-2-one?
The IUPAC name of (5R)-5-methyl-5-phenyloxolan-2-one (CID 11030345) is (5R)-5-methyl-5-phenyloxolan-2-one.
What is the SMILES notation for (5R)-5-methyl-5-phenyloxolan-2-one?
The canonical SMILES for (5R)-5-methyl-5-phenyloxolan-2-one is C[C@]1(c2ccccc2)CCC(=O)O1.
What is the InChIKey of (5R)-5-methyl-5-phenyloxolan-2-one?
The InChIKey is JIJBMROEIDUWCW-LLVKDONJSA-N. The full InChI is InChI=1S/C11H12O2/c1-11(8-7-10(12)13-11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3/t11-/m1/s1.
What are the key properties of (5R)-5-methyl-5-phenyloxolan-2-one?
(5R)-5-methyl-5-phenyloxolan-2-one has a molecular weight of 176.22 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-5-phenyloxolan-2-one is sourced from PubChem (CID 11030345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).