(2-hydroxy-2-phenylacetyl) 2-hydroxy-2-phenylacetate

C16H14O5 — CID 14706693

IUPAC(2-hydroxy-2-phenylacetyl) 2-hydroxy-2-phenylacetate
SMILESO=C(OC(=O)C(O)c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C16H14O5/c17-13(11-7-3-1-4-8-11)15(19)21-16(20)14(18)12-9-5-2-6-10-12/h1-10,13-14,17-18H
InChIKeyOCZNKRKFCRKFNG-UHFFFAOYSA-N
MW286.28 g/mol
LogP1.52
Rot. Bonds4

About (2-hydroxy-2-phenylacetyl) 2-hydroxy-2-phenylacetate

(2-hydroxy-2-phenylacetyl) 2-hydroxy-2-phenylacetate (PubChem CID 14706693) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is (2-hydroxy-2-phenylacetyl) 2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Name(2-hydroxy-2-phenylacetyl) 2-hydroxy-2-phenylacetate
PubChem CID14706693
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name(2-hydroxy-2-phenylacetyl) 2-hydroxy-2-phenylacetate
SMILESO=C(OC(=O)C(O)c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C16H14O5/c17-13(11-7-3-1-4-8-11)15(19)21-16(20)14(18)12-9-5-2-6-10-12/h1-10,13-14,17-18H
InChIKeyOCZNKRKFCRKFNG-UHFFFAOYSA-N
XLogP1.52
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-2-hydroxy-2-phenylacetyl] benzoate
CID 139898238
[(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
bis[[(2R)-2-hydroxy-2-phenylacetyl]oxy]gallanyl 2-hydroxy-2-phenylacetate
CID 140596039
phenyl (2R)-2-hydroxy-2-phenylacetate
CID 15685596
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
chloromethyl 2-hydroxy-2-phenylacetate
CID 123324758
(2R)-2-hydroxy-2-phenylacetic acid
CID 139040954
2,2,2-trichloroethoxycarbonyl (2R)-2-hydroxy-2-phenylacetate
CID 154414279
2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-hydroxyacetic acid
CID 11019130
10-(2-hydroxy-2-phenylacetyl)oxydecyl 2-hydroxy-2-phenylacetate
CID 123268996
(2R)-2-(2-hydroxy-2-phenylacetyl)oxy-2-phenylacetic acid
CID 54256901

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-2-phenylacetyl) 2-hydroxy-2-phenylacetate?
The IUPAC name of (2-hydroxy-2-phenylacetyl) 2-hydroxy-2-phenylacetate (CID 14706693) is (2-hydroxy-2-phenylacetyl) 2-hydroxy-2-phenylacetate.
What is the SMILES notation for (2-hydroxy-2-phenylacetyl) 2-hydroxy-2-phenylacetate?
The canonical SMILES for (2-hydroxy-2-phenylacetyl) 2-hydroxy-2-phenylacetate is O=C(OC(=O)C(O)c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of (2-hydroxy-2-phenylacetyl) 2-hydroxy-2-phenylacetate?
The InChIKey is OCZNKRKFCRKFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5/c17-13(11-7-3-1-4-8-11)15(19)21-16(20)14(18)12-9-5-2-6-10-12/h1-10,13-14,17-18H.
What are the key properties of (2-hydroxy-2-phenylacetyl) 2-hydroxy-2-phenylacetate?
(2-hydroxy-2-phenylacetyl) 2-hydroxy-2-phenylacetate has a molecular weight of 286.28 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-2-phenylacetyl) 2-hydroxy-2-phenylacetate is sourced from PubChem (CID 14706693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).