3-hydroxy-5,5-dimethyl-4-phenyloxolan-2-one

C12H14O3 — CID 18436228

IUPAC3-hydroxy-5,5-dimethyl-4-phenyloxolan-2-one
SMILESCC1(C)OC(=O)C(O)C1c1ccccc1
InChIInChI=1S/C12H14O3/c1-12(2)9(10(13)11(14)15-12)8-6-4-3-5-7-8/h3-7,9-10,13H,1-2H3
InChIKeyRFDMILFLYDDNEI-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.47
Rot. Bonds1

About 3-hydroxy-5,5-dimethyl-4-phenyloxolan-2-one

3-hydroxy-5,5-dimethyl-4-phenyloxolan-2-one (PubChem CID 18436228) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-hydroxy-5,5-dimethyl-4-phenyloxolan-2-one.

Molecular Properties

Compound Name3-hydroxy-5,5-dimethyl-4-phenyloxolan-2-one
PubChem CID18436228
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name3-hydroxy-5,5-dimethyl-4-phenyloxolan-2-one
SMILESCC1(C)OC(=O)C(O)C1c1ccccc1
InChIInChI=1S/C12H14O3/c1-12(2)9(10(13)11(14)15-12)8-6-4-3-5-7-8/h3-7,9-10,13H,1-2H3
InChIKeyRFDMILFLYDDNEI-UHFFFAOYSA-N
XLogP1.47
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-3-diethoxyphosphoryl-5,5-dimethyl-4-phenyloxolan-2-one
CID 24766722
(2R,5R)-2-methyl-2,5-diphenyl-1,3-dioxolan-4-one
CID 102069658
(2S,3R,4R,5S)-2,5-dibromo-2,5-dimethyl-3,4-diphenylcyclopentan-1-one
CID 132530978
(2S,3S,4S)-2-hydroxy-2,5,5-trimethyl-3,4-diphenylcyclopentan-1-one
CID 102142694
(3S,4S)-4-hydroxy-2-methyl-3-phenyl-1,2-oxazolidin-5-one
CID 130977904
methyl 3-hydroxy-1,4-dimethyl-2-oxo-5-phenylcyclopentane-1-carboxylate
CID 134966986
(10R,13R,14S)-13-hydroxy-10,14-diphenyl-7,16-dioxadispiro[5.2.59.26]hexadecane-8,12,15-trione
CID 102573459
(3S)-5-(dimethylamino)-3,4-dihydroxy-6,6-dimethyloxan-2-one
CID 135040119
N-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyloxolan-3-yl]cyclohexyl]pyrimidine-4-carboxamide
CID 71736692
3-hydroxy-5-methyl-5-phenyloxolan-2-one
CID 12521154
2,4,4-trimethyl-3-phenyloxolane
CID 78139308
(4S,5S)-4-hydroxy-2-methyl-5-phenyl-1,2-oxazolidin-3-one
CID 131102376

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5,5-dimethyl-4-phenyloxolan-2-one?
The IUPAC name of 3-hydroxy-5,5-dimethyl-4-phenyloxolan-2-one (CID 18436228) is 3-hydroxy-5,5-dimethyl-4-phenyloxolan-2-one.
What is the SMILES notation for 3-hydroxy-5,5-dimethyl-4-phenyloxolan-2-one?
The canonical SMILES for 3-hydroxy-5,5-dimethyl-4-phenyloxolan-2-one is CC1(C)OC(=O)C(O)C1c1ccccc1.
What is the InChIKey of 3-hydroxy-5,5-dimethyl-4-phenyloxolan-2-one?
The InChIKey is RFDMILFLYDDNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-12(2)9(10(13)11(14)15-12)8-6-4-3-5-7-8/h3-7,9-10,13H,1-2H3.
What are the key properties of 3-hydroxy-5,5-dimethyl-4-phenyloxolan-2-one?
3-hydroxy-5,5-dimethyl-4-phenyloxolan-2-one has a molecular weight of 206.24 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5,5-dimethyl-4-phenyloxolan-2-one is sourced from PubChem (CID 18436228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).