(5S)-5-[(1R)-1-hydroxy-2-phenylethyl]oxolan-2-one

C12H14O3 — CID 10867470

IUPAC(5S)-5-[(1R)-1-hydroxy-2-phenylethyl]oxolan-2-one
SMILESO=C1CC[C@@H]([C@H](O)Cc2ccccc2)O1
InChIInChI=1S/C12H14O3/c13-10(11-6-7-12(14)15-11)8-9-4-2-1-3-5-9/h1-5,10-11,13H,6-8H2/t10-,11+/m1/s1
InChIKeyBZMWCAGVQJPLSG-MNOVXSKESA-N
MW206.24 g/mol
LogP1.30
Rot. Bonds3

About (5S)-5-[(1R)-1-hydroxy-2-phenylethyl]oxolan-2-one

(5S)-5-[(1R)-1-hydroxy-2-phenylethyl]oxolan-2-one (PubChem CID 10867470) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is (5S)-5-[(1R)-1-hydroxy-2-phenylethyl]oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-[(1R)-1-hydroxy-2-phenylethyl]oxolan-2-one
PubChem CID10867470
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name(5S)-5-[(1R)-1-hydroxy-2-phenylethyl]oxolan-2-one
SMILESO=C1CC[C@@H]([C@H](O)Cc2ccccc2)O1
InChIInChI=1S/C12H14O3/c13-10(11-6-7-12(14)15-11)8-9-4-2-1-3-5-9/h1-5,10-11,13H,6-8H2/t10-,11+/m1/s1
InChIKeyBZMWCAGVQJPLSG-MNOVXSKESA-N
XLogP1.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-5-[(R)-hydroxy(phenyl)methyl]oxolan-2-one
CID 11229284
2-[(1S)-1-[(2S)-5-oxooxolan-2-yl]-2-phenylethyl]isoindole-1,3-dione
CID 10568796
1-[(2S)-oxiran-2-yl]-2-phenylethanol
CID 54466399
(5R)-5-[(1S)-2-bromo-1-hydroxyethyl]oxolan-2-one
CID 11735937
benzyl 2-(5-oxooxolan-2-yl)propanoate
CID 167309507
1-(oxolan-2-yl)-2-phenylethanol
CID 65331018
(5S)-5-[(1R,2R)-2-methyl-1-phenylmethoxybutyl]oxolan-2-one
CID 11139931
(1R)-1-cyclopentyl-2-phenylethanol
CID 39238299
(5S)-5-[(1S,3Z,6Z,9Z,12Z,15Z)-1-hydroxyoctadeca-3,6,9,12,15-pentaenyl]oxolan-2-one
CID 124582079
1-(1,4-dioxan-2-yl)-2-phenylethanol
CID 57153812
5-[(1S,2S)-1,2,3-trihydroxypropyl]oxolan-2-one
CID 130803122
1-(1,3-dioxolan-2-yl)-2-phenylethanol
CID 10241725

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(1R)-1-hydroxy-2-phenylethyl]oxolan-2-one?
The IUPAC name of (5S)-5-[(1R)-1-hydroxy-2-phenylethyl]oxolan-2-one (CID 10867470) is (5S)-5-[(1R)-1-hydroxy-2-phenylethyl]oxolan-2-one.
What is the SMILES notation for (5S)-5-[(1R)-1-hydroxy-2-phenylethyl]oxolan-2-one?
The canonical SMILES for (5S)-5-[(1R)-1-hydroxy-2-phenylethyl]oxolan-2-one is O=C1CC[C@@H]([C@H](O)Cc2ccccc2)O1.
What is the InChIKey of (5S)-5-[(1R)-1-hydroxy-2-phenylethyl]oxolan-2-one?
The InChIKey is BZMWCAGVQJPLSG-MNOVXSKESA-N. The full InChI is InChI=1S/C12H14O3/c13-10(11-6-7-12(14)15-11)8-9-4-2-1-3-5-9/h1-5,10-11,13H,6-8H2/t10-,11+/m1/s1.
What are the key properties of (5S)-5-[(1R)-1-hydroxy-2-phenylethyl]oxolan-2-one?
(5S)-5-[(1R)-1-hydroxy-2-phenylethyl]oxolan-2-one has a molecular weight of 206.24 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(1R)-1-hydroxy-2-phenylethyl]oxolan-2-one is sourced from PubChem (CID 10867470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).