(2R)-2-(2-hydroxy-2-phenylacetyl)oxy-2-phenylacetic acid

C16H14O5 — CID 54256901

IUPAC(2R)-2-(2-hydroxy-2-phenylacetyl)oxy-2-phenylacetic acid
SMILESO=C(O[C@@H](C(=O)O)c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C16H14O5/c17-13(11-7-3-1-4-8-11)16(20)21-14(15(18)19)12-9-5-2-6-10-12/h1-10,13-14,17H,(H,18,19)/t13?,14-/m1/s1
InChIKeyRASCAYGBSQKNNI-ARLHGKGLSA-N
MW286.28 g/mol
LogP2.09
Rot. Bonds5

About (2R)-2-(2-hydroxy-2-phenylacetyl)oxy-2-phenylacetic acid

(2R)-2-(2-hydroxy-2-phenylacetyl)oxy-2-phenylacetic acid (PubChem CID 54256901) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is (2R)-2-(2-hydroxy-2-phenylacetyl)oxy-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-(2-hydroxy-2-phenylacetyl)oxy-2-phenylacetic acid
PubChem CID54256901
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name(2R)-2-(2-hydroxy-2-phenylacetyl)oxy-2-phenylacetic acid
SMILESO=C(O[C@@H](C(=O)O)c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C16H14O5/c17-13(11-7-3-1-4-8-11)16(20)21-14(15(18)19)12-9-5-2-6-10-12/h1-10,13-14,17H,(H,18,19)/t13?,14-/m1/s1
InChIKeyRASCAYGBSQKNNI-ARLHGKGLSA-N
XLogP2.09
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-2-amino-3-phenylpropanoyl]oxy-2-phenylacetic acid
CID 122589190
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-hydroxy-2-phenylacetate
CID 9414934
(2-hydroxy-2-phenylacetyl) 2-hydroxy-2-phenylacetate
CID 14706693
(2-hydroxy-1-phenylethyl) 2-hydroxy-2-phenylacetate
CID 91438959
2-[9-[carboxy(phenyl)methoxy]-9-oxononanoyl]oxy-2-phenylacetic acid
CID 101455888
(2R)-2-hydroxy-2-phenylacetic acid
CID 139040954
2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-hydroxyacetic acid
CID 11019130
bis[[(2R)-2-hydroxy-2-phenylacetyl]oxy]gallanyl 2-hydroxy-2-phenylacetate
CID 140596039
phenyl (2R)-2-hydroxy-2-phenylacetate
CID 15685596
(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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-hydroxy-2-phenylacetyl)oxy-2-phenylacetic acid?
The IUPAC name of (2R)-2-(2-hydroxy-2-phenylacetyl)oxy-2-phenylacetic acid (CID 54256901) is (2R)-2-(2-hydroxy-2-phenylacetyl)oxy-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-(2-hydroxy-2-phenylacetyl)oxy-2-phenylacetic acid?
The canonical SMILES for (2R)-2-(2-hydroxy-2-phenylacetyl)oxy-2-phenylacetic acid is O=C(O[C@@H](C(=O)O)c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of (2R)-2-(2-hydroxy-2-phenylacetyl)oxy-2-phenylacetic acid?
The InChIKey is RASCAYGBSQKNNI-ARLHGKGLSA-N. The full InChI is InChI=1S/C16H14O5/c17-13(11-7-3-1-4-8-11)16(20)21-14(15(18)19)12-9-5-2-6-10-12/h1-10,13-14,17H,(H,18,19)/t13?,14-/m1/s1.
What are the key properties of (2R)-2-(2-hydroxy-2-phenylacetyl)oxy-2-phenylacetic acid?
(2R)-2-(2-hydroxy-2-phenylacetyl)oxy-2-phenylacetic acid has a molecular weight of 286.28 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-hydroxy-2-phenylacetyl)oxy-2-phenylacetic acid is sourced from PubChem (CID 54256901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).