(5R)-5-hydroxy-4-oxo-5-phenylpentanoate

C11H11O4- — CID 102191260

IUPAC(5R)-5-hydroxy-4-oxo-5-phenylpentanoate
SMILESO=C([O-])CCC(=O)[C@H](O)c1ccccc1
InChIInChI=1S/C11H12O4/c12-9(6-7-10(13)14)11(15)8-4-2-1-3-5-8/h1-5,11,15H,6-7H2,(H,13,14)/p-1/t11-/m1/s1
InChIKeyUHLBGFLBWVCIHO-LLVKDONJSA-M
MW207.21 g/mol
LogP-0.18
Rot. Bonds5

About (5R)-5-hydroxy-4-oxo-5-phenylpentanoate

(5R)-5-hydroxy-4-oxo-5-phenylpentanoate (PubChem CID 102191260) has the molecular formula C11H11O4- and a molecular weight of 207.21 g/mol. Its IUPAC name is (5R)-5-hydroxy-4-oxo-5-phenylpentanoate.

Molecular Properties

Compound Name(5R)-5-hydroxy-4-oxo-5-phenylpentanoate
PubChem CID102191260
Molecular FormulaC11H11O4-
Molecular Weight207.21 g/mol
Exact Mass207.07
IUPAC Name(5R)-5-hydroxy-4-oxo-5-phenylpentanoate
SMILESO=C([O-])CCC(=O)[C@H](O)c1ccccc1
InChIInChI=1S/C11H12O4/c12-9(6-7-10(13)14)11(15)8-4-2-1-3-5-8/h1-5,11,15H,6-7H2,(H,13,14)/p-1/t11-/m1/s1
InChIKeyUHLBGFLBWVCIHO-LLVKDONJSA-M
XLogP-0.18
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-hydroxy-1-phenylhept-5-yn-2-one
CID 22013177
1-hydroxy-5-methoxy-1-phenylpentan-2-one
CID 103458057
1-hydroxy-5-methylsulfonyl-1-phenylpentan-2-one
CID 103458038
(2R)-2-hydroxy-2-phenylacetic acid
CID 139040954
2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-hydroxyacetic acid
CID 11019130
1-hydroxy-4,4-dimethyl-1-phenylpentan-2-one
CID 58128890
(2R)-2-hydroxy-2-phenylacetic acid;zinc
CID 57473641
(2R)-2-hydroxy-2-phenylacetic acid;hydrate
CID 69001631
(2S)-2-hydroxy-2-phenylacetic acid;hydrate
CID 139987845
(2S)-2-hydroxy-2-phenylacetic acid;hydrochloride
CID 141322731
(2R)-2-hydroxy-2-phenylacetic acid;rhodium
CID 174857137
azane;2-hydroxy-2-phenylacetic acid
CID 23617102

Frequently Asked Questions

What is the IUPAC name of (5R)-5-hydroxy-4-oxo-5-phenylpentanoate?
The IUPAC name of (5R)-5-hydroxy-4-oxo-5-phenylpentanoate (CID 102191260) is (5R)-5-hydroxy-4-oxo-5-phenylpentanoate.
What is the SMILES notation for (5R)-5-hydroxy-4-oxo-5-phenylpentanoate?
The canonical SMILES for (5R)-5-hydroxy-4-oxo-5-phenylpentanoate is O=C([O-])CCC(=O)[C@H](O)c1ccccc1.
What is the InChIKey of (5R)-5-hydroxy-4-oxo-5-phenylpentanoate?
The InChIKey is UHLBGFLBWVCIHO-LLVKDONJSA-M. The full InChI is InChI=1S/C11H12O4/c12-9(6-7-10(13)14)11(15)8-4-2-1-3-5-8/h1-5,11,15H,6-7H2,(H,13,14)/p-1/t11-/m1/s1.
What are the key properties of (5R)-5-hydroxy-4-oxo-5-phenylpentanoate?
(5R)-5-hydroxy-4-oxo-5-phenylpentanoate has a molecular weight of 207.21 g/mol, XLogP of -0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-hydroxy-4-oxo-5-phenylpentanoate is sourced from PubChem (CID 102191260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).