3-hydroxy-5-methyl-5-phenyloxolan-2-one

C11H12O3 — CID 12521154

IUPAC3-hydroxy-5-methyl-5-phenyloxolan-2-one
SMILESCC1(c2ccccc2)CC(O)C(=O)O1
InChIInChI=1S/C11H12O3/c1-11(7-9(12)10(13)14-11)8-5-3-2-4-6-8/h2-6,9,12H,7H2,1H3
InChIKeyKTTKPQCHAKJILS-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.21
Rot. Bonds1

About 3-hydroxy-5-methyl-5-phenyloxolan-2-one

3-hydroxy-5-methyl-5-phenyloxolan-2-one (PubChem CID 12521154) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 3-hydroxy-5-methyl-5-phenyloxolan-2-one.

Molecular Properties

Compound Name3-hydroxy-5-methyl-5-phenyloxolan-2-one
PubChem CID12521154
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name3-hydroxy-5-methyl-5-phenyloxolan-2-one
SMILESCC1(c2ccccc2)CC(O)C(=O)O1
InChIInChI=1S/C11H12O3/c1-11(7-9(12)10(13)14-11)8-5-3-2-4-6-8/h2-6,9,12H,7H2,1H3
InChIKeyKTTKPQCHAKJILS-UHFFFAOYSA-N
XLogP1.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,5S)-3,5-dimethyl-5-phenyloxolan-2-one
CID 11745429
bicyclo[3.1.0]hexa-1(6),2,4-triene;4-hydroxy-6-methyl-6-phenyloxan-2-one
CID 67752422
5-iodo-2-[[(3S,5S)-5-methyl-2-oxo-5-phenyloxolan-3-yl]amino]benzoic acid
CID 42578699
2,5-dimethyl-2-phenyl-1,3-dioxolan-4-one
CID 14546285
(2S)-2-methyl-2-phenyl-3,4-dihydropyran-4-ol
CID 100966337
cis-(1R,2S)-2-methyl-2-phenylcyclopropan-1-ol
CID 121227035
2,2-dimethyl-5-(1-phenylcyclopropanecarbonyl)-1,3-dioxane-4,6-dione
CID 163247294
(6R)-6-methyl-6-phenyloxan-2-one
CID 100971522
(2S)-2-methyl-2-phenyloxirane
CID 11629614
(2R,5R)-2,5-dimethyl-2,5-diphenyl-1,4-dioxane
CID 1203325
(2R,5R)-2-methyl-2,5-diphenyl-1,3-dioxolan-4-one
CID 102069658
3-(2-iodoanilino)-5-(4-iodophenyl)-5-methyloxolan-2-one
CID 10208133

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-methyl-5-phenyloxolan-2-one?
The IUPAC name of 3-hydroxy-5-methyl-5-phenyloxolan-2-one (CID 12521154) is 3-hydroxy-5-methyl-5-phenyloxolan-2-one.
What is the SMILES notation for 3-hydroxy-5-methyl-5-phenyloxolan-2-one?
The canonical SMILES for 3-hydroxy-5-methyl-5-phenyloxolan-2-one is CC1(c2ccccc2)CC(O)C(=O)O1.
What is the InChIKey of 3-hydroxy-5-methyl-5-phenyloxolan-2-one?
The InChIKey is KTTKPQCHAKJILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-11(7-9(12)10(13)14-11)8-5-3-2-4-6-8/h2-6,9,12H,7H2,1H3.
What are the key properties of 3-hydroxy-5-methyl-5-phenyloxolan-2-one?
3-hydroxy-5-methyl-5-phenyloxolan-2-one has a molecular weight of 192.21 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-methyl-5-phenyloxolan-2-one is sourced from PubChem (CID 12521154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).