phenyl (2R)-2-hydroxy-2-phenylacetate

C14H12O3 — CID 15685596

IUPACphenyl (2R)-2-hydroxy-2-phenylacetate
SMILESO=C(Oc1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C14H12O3/c15-13(11-7-3-1-4-8-11)14(16)17-12-9-5-2-6-10-12/h1-10,13,15H/t13-/m1/s1
InChIKeyNXIJFKLAIBXHEF-CYBMUJFWSA-N
MW228.25 g/mol
LogP2.33
Rot. Bonds3

About phenyl (2R)-2-hydroxy-2-phenylacetate

phenyl (2R)-2-hydroxy-2-phenylacetate (PubChem CID 15685596) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is phenyl (2R)-2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Namephenyl (2R)-2-hydroxy-2-phenylacetate
PubChem CID15685596
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Namephenyl (2R)-2-hydroxy-2-phenylacetate
SMILESO=C(Oc1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C14H12O3/c15-13(11-7-3-1-4-8-11)14(16)17-12-9-5-2-6-10-12/h1-10,13,15H/t13-/m1/s1
InChIKeyNXIJFKLAIBXHEF-CYBMUJFWSA-N
XLogP2.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-hydroxy-2-phenylacetyl) 2-hydroxy-2-phenylacetate
CID 14706693
phenyl 3-hydroxy-2-[hydroxy(phenyl)methyl]-3-phenylpropanoate
CID 101200138
phenyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
CID 10978067
bis[[(2R)-2-hydroxy-2-phenylacetyl]oxy]gallanyl 2-hydroxy-2-phenylacetate
CID 140596039
phenyl 3-oxo-2-phenylbutanoate
CID 22555082
(2R,3S)-2,3-bis(phenoxycarbonyl)butanedioic acid
CID 1268149
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
phenyl 2-hydroxy-3-methylbutanoate
CID 21199267
chloromethyl 2-hydroxy-2-phenylacetate
CID 123324758
(2R)-2-hydroxy-2-phenylacetic acid
CID 139040954
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

Frequently Asked Questions

What is the IUPAC name of phenyl (2R)-2-hydroxy-2-phenylacetate?
The IUPAC name of phenyl (2R)-2-hydroxy-2-phenylacetate (CID 15685596) is phenyl (2R)-2-hydroxy-2-phenylacetate.
What is the SMILES notation for phenyl (2R)-2-hydroxy-2-phenylacetate?
The canonical SMILES for phenyl (2R)-2-hydroxy-2-phenylacetate is O=C(Oc1ccccc1)[C@H](O)c1ccccc1.
What is the InChIKey of phenyl (2R)-2-hydroxy-2-phenylacetate?
The InChIKey is NXIJFKLAIBXHEF-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H12O3/c15-13(11-7-3-1-4-8-11)14(16)17-12-9-5-2-6-10-12/h1-10,13,15H/t13-/m1/s1.
What are the key properties of phenyl (2R)-2-hydroxy-2-phenylacetate?
phenyl (2R)-2-hydroxy-2-phenylacetate has a molecular weight of 228.25 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (2R)-2-hydroxy-2-phenylacetate is sourced from PubChem (CID 15685596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).