(4R,6R)-4-hydroxy-6-(2-phenylethyl)oxan-2-one

C13H16O3 — CID 10867800

IUPAC(4R,6R)-4-hydroxy-6-(2-phenylethyl)oxan-2-one
SMILESO=C1C[C@H](O)C[C@@H](CCc2ccccc2)O1
InChIInChI=1S/C13H16O3/c14-11-8-12(16-13(15)9-11)7-6-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2/t11-,12-/m1/s1
InChIKeyAPKLLCZNMMGUGL-VXGBXAGGSA-N
MW220.27 g/mol
LogP1.69
Rot. Bonds3

About (4R,6R)-4-hydroxy-6-(2-phenylethyl)oxan-2-one

(4R,6R)-4-hydroxy-6-(2-phenylethyl)oxan-2-one (PubChem CID 10867800) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is (4R,6R)-4-hydroxy-6-(2-phenylethyl)oxan-2-one.

Molecular Properties

Compound Name(4R,6R)-4-hydroxy-6-(2-phenylethyl)oxan-2-one
PubChem CID10867800
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name(4R,6R)-4-hydroxy-6-(2-phenylethyl)oxan-2-one
SMILESO=C1C[C@H](O)C[C@@H](CCc2ccccc2)O1
InChIInChI=1S/C13H16O3/c14-11-8-12(16-13(15)9-11)7-6-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2/t11-,12-/m1/s1
InChIKeyAPKLLCZNMMGUGL-VXGBXAGGSA-N
XLogP1.69
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,6R)-4-hydroxy-6-(2-phenylethyl)oxan-2-one?
The IUPAC name of (4R,6R)-4-hydroxy-6-(2-phenylethyl)oxan-2-one (CID 10867800) is (4R,6R)-4-hydroxy-6-(2-phenylethyl)oxan-2-one.
What is the SMILES notation for (4R,6R)-4-hydroxy-6-(2-phenylethyl)oxan-2-one?
The canonical SMILES for (4R,6R)-4-hydroxy-6-(2-phenylethyl)oxan-2-one is O=C1C[C@H](O)C[C@@H](CCc2ccccc2)O1.
What is the InChIKey of (4R,6R)-4-hydroxy-6-(2-phenylethyl)oxan-2-one?
The InChIKey is APKLLCZNMMGUGL-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H16O3/c14-11-8-12(16-13(15)9-11)7-6-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2/t11-,12-/m1/s1.
What are the key properties of (4R,6R)-4-hydroxy-6-(2-phenylethyl)oxan-2-one?
(4R,6R)-4-hydroxy-6-(2-phenylethyl)oxan-2-one has a molecular weight of 220.27 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-4-hydroxy-6-(2-phenylethyl)oxan-2-one is sourced from PubChem (CID 10867800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).