[(2R)-2-hydroxy-2-phenylacetyl] benzoate

C15H12O4 — CID 139898238

IUPAC[(2R)-2-hydroxy-2-phenylacetyl] benzoate
SMILESO=C(OC(=O)[C@H](O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H12O4/c16-13(11-7-3-1-4-8-11)15(18)19-14(17)12-9-5-2-6-10-12/h1-10,13,16H/t13-/m1/s1
InChIKeyNWILBRBKAQNVGU-CYBMUJFWSA-N
MW256.26 g/mol
LogP2.10
Rot. Bonds3

About [(2R)-2-hydroxy-2-phenylacetyl] benzoate

[(2R)-2-hydroxy-2-phenylacetyl] benzoate (PubChem CID 139898238) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is [(2R)-2-hydroxy-2-phenylacetyl] benzoate.

Molecular Properties

Compound Name[(2R)-2-hydroxy-2-phenylacetyl] benzoate
PubChem CID139898238
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Name[(2R)-2-hydroxy-2-phenylacetyl] benzoate
SMILESO=C(OC(=O)[C@H](O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H12O4/c16-13(11-7-3-1-4-8-11)15(18)19-14(17)12-9-5-2-6-10-12/h1-10,13,16H/t13-/m1/s1
InChIKeyNWILBRBKAQNVGU-CYBMUJFWSA-N
XLogP2.10
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze [(2R)-2-hydroxy-2-phenylacetyl] benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-hydroxy-2-phenylacetyl) 2-hydroxy-2-phenylacetate
CID 14706693
dibenzoyl 2,3-dihydroxybutanedioate;2,3-dihydroxybutanedioic acid
CID 158220353
bis(4-benzoyloxy-2,3-dihydroxy-4-oxobutanoic acid);hydrate
CID 174359329
2,3-dihydroxypropanoyl benzoate
CID 87057662
[(2R)-2-hydroxy-2-phenylacetyl] 2-methylprop-2-enoate
CID 88758596
(E)-4-[(2R)-2-hydroxy-2-phenylacetyl]oxy-4-oxobut-2-enoic acid
CID 87746936
2-hydroxy-1,2-diphenylethanone
CID 159399559
1,2-diphenylprop-2-en-1-ol
CID 11586526
[hydroxy(phenyl)methyl] benzoate
CID 22715526
bis[[(2R)-2-hydroxy-2-phenylacetyl]oxy]gallanyl 2-hydroxy-2-phenylacetate
CID 140596039
phenyl (2R)-2-hydroxy-2-phenylacetate
CID 15685596
2-hydroxy-1,2-diphenylethanone;silyloxysilane
CID 173133276

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-hydroxy-2-phenylacetyl] benzoate?
The IUPAC name of [(2R)-2-hydroxy-2-phenylacetyl] benzoate (CID 139898238) is [(2R)-2-hydroxy-2-phenylacetyl] benzoate.
What is the SMILES notation for [(2R)-2-hydroxy-2-phenylacetyl] benzoate?
The canonical SMILES for [(2R)-2-hydroxy-2-phenylacetyl] benzoate is O=C(OC(=O)[C@H](O)c1ccccc1)c1ccccc1.
What is the InChIKey of [(2R)-2-hydroxy-2-phenylacetyl] benzoate?
The InChIKey is NWILBRBKAQNVGU-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H12O4/c16-13(11-7-3-1-4-8-11)15(18)19-14(17)12-9-5-2-6-10-12/h1-10,13,16H/t13-/m1/s1.
What are the key properties of [(2R)-2-hydroxy-2-phenylacetyl] benzoate?
[(2R)-2-hydroxy-2-phenylacetyl] benzoate has a molecular weight of 256.26 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-hydroxy-2-phenylacetyl] benzoate is sourced from PubChem (CID 139898238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).