(5S)-5-[(R)-hydroxy(phenyl)methyl]oxolan-2-one

C11H12O3 — CID 11229284

IUPAC(5S)-5-[(R)-hydroxy(phenyl)methyl]oxolan-2-one
SMILESO=C1CC[C@@H]([C@H](O)c2ccccc2)O1
InChIInChI=1S/C11H12O3/c12-10-7-6-9(14-10)11(13)8-4-2-1-3-5-8/h1-5,9,11,13H,6-7H2/t9-,11+/m0/s1
InChIKeyXSLNGWVCABGHBH-GXSJLCMTSA-N
MW192.21 g/mol
LogP1.43
Rot. Bonds2

About (5S)-5-[(R)-hydroxy(phenyl)methyl]oxolan-2-one

(5S)-5-[(R)-hydroxy(phenyl)methyl]oxolan-2-one (PubChem CID 11229284) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is (5S)-5-[(R)-hydroxy(phenyl)methyl]oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-[(R)-hydroxy(phenyl)methyl]oxolan-2-one
PubChem CID11229284
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name(5S)-5-[(R)-hydroxy(phenyl)methyl]oxolan-2-one
SMILESO=C1CC[C@@H]([C@H](O)c2ccccc2)O1
InChIInChI=1S/C11H12O3/c12-10-7-6-9(14-10)11(13)8-4-2-1-3-5-8/h1-5,9,11,13H,6-7H2/t9-,11+/m0/s1
InChIKeyXSLNGWVCABGHBH-GXSJLCMTSA-N
XLogP1.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-5-[(R)-hydroxy-(4-methoxyphenyl)methyl]oxolan-2-one
CID 132579136
(5S)-5-[(1R)-1-hydroxy-2-phenylethyl]oxolan-2-one
CID 10867470
(5S)-5-[(S)-hydroxy(phenyl)methyl]oxan-2-one
CID 102090853
(5S)-5-[(4R,5R)-5-[(R)-hydroxy(phenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one
CID 24767235
(5R)-5-[(1R)-1-hydroxyprop-2-ynyl]oxolan-2-one
CID 45113846
(5-methyloxolan-2-yl)-phenylmethanol
CID 13239151
benzyl 2-(5-oxooxolan-2-yl)propanoate
CID 167309507
(6R)-6-[phenyl(phenylsulfanyl)methyl]oxan-2-one
CID 18597523
5-[(1S,2S)-1,2,3-trihydroxypropyl]oxolan-2-one
CID 130803122
(2R)-2-[(R)-hydroxy(phenyl)methyl]cyclohexan-1-one
CID 7038954
5-phenyloxolan-2-one
CID 13884
(2R)-2-[(S)-hydroxy(phenyl)methyl]cycloheptan-1-one
CID 12754674

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(R)-hydroxy(phenyl)methyl]oxolan-2-one?
The IUPAC name of (5S)-5-[(R)-hydroxy(phenyl)methyl]oxolan-2-one (CID 11229284) is (5S)-5-[(R)-hydroxy(phenyl)methyl]oxolan-2-one.
What is the SMILES notation for (5S)-5-[(R)-hydroxy(phenyl)methyl]oxolan-2-one?
The canonical SMILES for (5S)-5-[(R)-hydroxy(phenyl)methyl]oxolan-2-one is O=C1CC[C@@H]([C@H](O)c2ccccc2)O1.
What is the InChIKey of (5S)-5-[(R)-hydroxy(phenyl)methyl]oxolan-2-one?
The InChIKey is XSLNGWVCABGHBH-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H12O3/c12-10-7-6-9(14-10)11(13)8-4-2-1-3-5-8/h1-5,9,11,13H,6-7H2/t9-,11+/m0/s1.
What are the key properties of (5S)-5-[(R)-hydroxy(phenyl)methyl]oxolan-2-one?
(5S)-5-[(R)-hydroxy(phenyl)methyl]oxolan-2-one has a molecular weight of 192.21 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(R)-hydroxy(phenyl)methyl]oxolan-2-one is sourced from PubChem (CID 11229284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).