ethyl (2R)-2-hydroxy-2-(4-phenylphenyl)acetate

C16H16O3 — CID 885195

IUPACethyl (2R)-2-hydroxy-2-(4-phenylphenyl)acetate
SMILESCCOC(=O)[C@H](O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H16O3/c1-2-19-16(18)15(17)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11,15,17H,2H2,1H3/t15-/m1/s1
InChIKeyBHVZVDKGZPBNNX-OAHLLOKOSA-N
MW256.30 g/mol
LogP2.95
Rot. Bonds4

About ethyl (2R)-2-hydroxy-2-(4-phenylphenyl)acetate

ethyl (2R)-2-hydroxy-2-(4-phenylphenyl)acetate (PubChem CID 885195) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is ethyl (2R)-2-hydroxy-2-(4-phenylphenyl)acetate.

Molecular Properties

Compound Nameethyl (2R)-2-hydroxy-2-(4-phenylphenyl)acetate
PubChem CID885195
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Nameethyl (2R)-2-hydroxy-2-(4-phenylphenyl)acetate
SMILESCCOC(=O)[C@H](O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H16O3/c1-2-19-16(18)15(17)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11,15,17H,2H2,1H3/t15-/m1/s1
InChIKeyBHVZVDKGZPBNNX-OAHLLOKOSA-N
XLogP2.95
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-hydroxy-2-phenylacetate
CID 90673198
ethyl 2-hydroxy-2-phenylacetate;methane;dihydrochloride
CID 174768847
sodium;ethyl 2-hydroxy-2-phenylacetate;hydride
CID 175364908
methyl (2R)-2-hydroxy-2-(4-phenylphenyl)acetate
CID 54430210
ethyl (Z)-2-[(R)-hydroxy-(4-phenylphenyl)methyl]-3-iodoprop-2-enoate
CID 101469468
ethyl 2-fluoro-2-(4-phenylphenyl)acetate
CID 21405824
ethyl (2R)-2-hydroxy-2-(4-propan-2-ylphenyl)acetate
CID 12717588
ethyl (3S)-3-amino-2-fluoro-3-(4-phenylphenyl)propanoate
CID 171249187
ethyl (2S)-2-(4-bromophenyl)-2-hydroxyacetate
CID 94376499
ethyl (2S)-2-(4-chlorophenyl)-2-hydroxyacetate
CID 93047913
ethyl (2S)-2-(4-tert-butylphenyl)-2-hydroxyacetate
CID 94376486
ethyl (3S)-3-amino-3-(4-phenylphenyl)propanoate
CID 29059678

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-hydroxy-2-(4-phenylphenyl)acetate?
The IUPAC name of ethyl (2R)-2-hydroxy-2-(4-phenylphenyl)acetate (CID 885195) is ethyl (2R)-2-hydroxy-2-(4-phenylphenyl)acetate.
What is the SMILES notation for ethyl (2R)-2-hydroxy-2-(4-phenylphenyl)acetate?
The canonical SMILES for ethyl (2R)-2-hydroxy-2-(4-phenylphenyl)acetate is CCOC(=O)[C@H](O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of ethyl (2R)-2-hydroxy-2-(4-phenylphenyl)acetate?
The InChIKey is BHVZVDKGZPBNNX-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H16O3/c1-2-19-16(18)15(17)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11,15,17H,2H2,1H3/t15-/m1/s1.
What are the key properties of ethyl (2R)-2-hydroxy-2-(4-phenylphenyl)acetate?
ethyl (2R)-2-hydroxy-2-(4-phenylphenyl)acetate has a molecular weight of 256.30 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-hydroxy-2-(4-phenylphenyl)acetate is sourced from PubChem (CID 885195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).