(3S,4S,5R)-4-hydroxy-3,5-dimethyl-4-phenyloxolan-2-one

C12H14O3 — CID 102254828

IUPAC(3S,4S,5R)-4-hydroxy-3,5-dimethyl-4-phenyloxolan-2-one
SMILESC[C@@H]1C(=O)O[C@H](C)[C@@]1(O)c1ccccc1
InChIInChI=1S/C12H14O3/c1-8-11(13)15-9(2)12(8,14)10-6-4-3-5-7-10/h3-9,14H,1-2H3/t8-,9-,12-/m1/s1
InChIKeyYXZDJDJBHVJOCJ-KBVBSXBZSA-N
MW206.24 g/mol
LogP1.46
Rot. Bonds1

About (3S,4S,5R)-4-hydroxy-3,5-dimethyl-4-phenyloxolan-2-one

(3S,4S,5R)-4-hydroxy-3,5-dimethyl-4-phenyloxolan-2-one (PubChem CID 102254828) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is (3S,4S,5R)-4-hydroxy-3,5-dimethyl-4-phenyloxolan-2-one.

Molecular Properties

Compound Name(3S,4S,5R)-4-hydroxy-3,5-dimethyl-4-phenyloxolan-2-one
PubChem CID102254828
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name(3S,4S,5R)-4-hydroxy-3,5-dimethyl-4-phenyloxolan-2-one
SMILESC[C@@H]1C(=O)O[C@H](C)[C@@]1(O)c1ccccc1
InChIInChI=1S/C12H14O3/c1-8-11(13)15-9(2)12(8,14)10-6-4-3-5-7-10/h3-9,14H,1-2H3/t8-,9-,12-/m1/s1
InChIKeyYXZDJDJBHVJOCJ-KBVBSXBZSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S,5R)-4-hydroxy-3,5-dimethyl-4-phenyloxolan-2-one?
The IUPAC name of (3S,4S,5R)-4-hydroxy-3,5-dimethyl-4-phenyloxolan-2-one (CID 102254828) is (3S,4S,5R)-4-hydroxy-3,5-dimethyl-4-phenyloxolan-2-one.
What is the SMILES notation for (3S,4S,5R)-4-hydroxy-3,5-dimethyl-4-phenyloxolan-2-one?
The canonical SMILES for (3S,4S,5R)-4-hydroxy-3,5-dimethyl-4-phenyloxolan-2-one is C[C@@H]1C(=O)O[C@H](C)[C@@]1(O)c1ccccc1.
What is the InChIKey of (3S,4S,5R)-4-hydroxy-3,5-dimethyl-4-phenyloxolan-2-one?
The InChIKey is YXZDJDJBHVJOCJ-KBVBSXBZSA-N. The full InChI is InChI=1S/C12H14O3/c1-8-11(13)15-9(2)12(8,14)10-6-4-3-5-7-10/h3-9,14H,1-2H3/t8-,9-,12-/m1/s1.
What are the key properties of (3S,4S,5R)-4-hydroxy-3,5-dimethyl-4-phenyloxolan-2-one?
(3S,4S,5R)-4-hydroxy-3,5-dimethyl-4-phenyloxolan-2-one has a molecular weight of 206.24 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5R)-4-hydroxy-3,5-dimethyl-4-phenyloxolan-2-one is sourced from PubChem (CID 102254828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).