benzyl (2R)-2-hydroxy-2-phenylacetate

C15H14O3 — CID 853755

IUPACbenzyl (2R)-2-hydroxy-2-phenylacetate
SMILESO=C(OCc1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C15H14O3/c16-14(13-9-5-2-6-10-13)15(17)18-11-12-7-3-1-4-8-12/h1-10,14,16H,11H2/t14-/m1/s1
InChIKeyJFKWZVQEMSKSBU-CQSZACIVSA-N
MW242.27 g/mol
LogP2.46
Rot. Bonds4

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

benzyl (2R)-2-hydroxy-2-phenylacetate (PubChem CID 853755) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is benzyl (2R)-2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Namebenzyl (2R)-2-hydroxy-2-phenylacetate
PubChem CID853755
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Namebenzyl (2R)-2-hydroxy-2-phenylacetate
SMILESO=C(OCc1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C15H14O3/c16-14(13-9-5-2-6-10-13)15(17)18-11-12-7-3-1-4-8-12/h1-10,14,16H,11H2/t14-/m1/s1
InChIKeyJFKWZVQEMSKSBU-CQSZACIVSA-N
XLogP2.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 2-amino-2-hydroxyacetate
CID 123342440
chloromethyl 2-hydroxy-2-phenylacetate
CID 123324758
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
benzyl (2R)-2,3-diamino-3-phenylpropanoate
CID 18653737
benzyl 3-hydroxy-3-phenylpropanoate
CID 15466820
2,3-dihydroxy-4-oxo-4-phenylmethoxybutanoic acid
CID 19925824
benzyl 2,3-diaminopropanoate
CID 19891176
3-hydroxy-4-oxo-4-phenylmethoxybutanoic acid
CID 14585849
10-(2-hydroxy-2-phenylacetyl)oxydecyl 2-hydroxy-2-phenylacetate
CID 123268996
tetrabenzyl propane-1,1,3,3-tetracarboxylate
CID 139256040
benzyl (2S)-4-amino-2-hydroxy-4-oxobutanoate
CID 10922133
ethyl 2-hydroxy-2-phenylacetate;methane;dihydrochloride
CID 174768847

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-hydroxy-2-phenylacetate?
The IUPAC name of benzyl (2R)-2-hydroxy-2-phenylacetate (CID 853755) is benzyl (2R)-2-hydroxy-2-phenylacetate.
What is the SMILES notation for benzyl (2R)-2-hydroxy-2-phenylacetate?
The canonical SMILES for benzyl (2R)-2-hydroxy-2-phenylacetate is O=C(OCc1ccccc1)[C@H](O)c1ccccc1.
What is the InChIKey of benzyl (2R)-2-hydroxy-2-phenylacetate?
The InChIKey is JFKWZVQEMSKSBU-CQSZACIVSA-N. The full InChI is InChI=1S/C15H14O3/c16-14(13-9-5-2-6-10-13)15(17)18-11-12-7-3-1-4-8-12/h1-10,14,16H,11H2/t14-/m1/s1.
What are the key properties of benzyl (2R)-2-hydroxy-2-phenylacetate?
benzyl (2R)-2-hydroxy-2-phenylacetate has a molecular weight of 242.27 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-hydroxy-2-phenylacetate is sourced from PubChem (CID 853755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).