ethyl (2S)-2-(2-fluorophenyl)-2-hydroxy-2-phenylacetate

C16H15FO3 — CID 138979287

IUPACethyl (2S)-2-(2-fluorophenyl)-2-hydroxy-2-phenylacetate
SMILESCCOC(=O)[C@](O)(c1ccccc1)c1ccccc1F
InChIInChI=1S/C16H15FO3/c1-2-20-15(18)16(19,12-8-4-3-5-9-12)13-10-6-7-11-14(13)17/h3-11,19H,2H2,1H3/t16-/m0/s1
InChIKeyWJDOCBAONAJTDL-INIZCTEOSA-N
MW274.29 g/mol
LogP2.62
Rot. Bonds4

About ethyl (2S)-2-(2-fluorophenyl)-2-hydroxy-2-phenylacetate

ethyl (2S)-2-(2-fluorophenyl)-2-hydroxy-2-phenylacetate (PubChem CID 138979287) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is ethyl (2S)-2-(2-fluorophenyl)-2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Nameethyl (2S)-2-(2-fluorophenyl)-2-hydroxy-2-phenylacetate
PubChem CID138979287
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Nameethyl (2S)-2-(2-fluorophenyl)-2-hydroxy-2-phenylacetate
SMILESCCOC(=O)[C@](O)(c1ccccc1)c1ccccc1F
InChIInChI=1S/C16H15FO3/c1-2-20-15(18)16(19,12-8-4-3-5-9-12)13-10-6-7-11-14(13)17/h3-11,19H,2H2,1H3/t16-/m0/s1
InChIKeyWJDOCBAONAJTDL-INIZCTEOSA-N
XLogP2.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Cyclandelate
CID 2893
Benactyzine
CID 9330
Chlorobenzilate
CID 10522
Chloropropylate
CID 22094
Oxybutynin
CID 4634
Benzilic acid
CID 6463
Bromopropylate
CID 28936
Benactyzine Hydrochloride
CID 66448
Esoxybutynin
CID 206530
Ethyl mandelate
CID 13050
(+-)-Cyclohexylphenylglycolic acid
CID 97700
Atrolactic acid
CID 1303

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-(2-fluorophenyl)-2-hydroxy-2-phenylacetate?
The IUPAC name of ethyl (2S)-2-(2-fluorophenyl)-2-hydroxy-2-phenylacetate (CID 138979287) is ethyl (2S)-2-(2-fluorophenyl)-2-hydroxy-2-phenylacetate.
What is the SMILES notation for ethyl (2S)-2-(2-fluorophenyl)-2-hydroxy-2-phenylacetate?
The canonical SMILES for ethyl (2S)-2-(2-fluorophenyl)-2-hydroxy-2-phenylacetate is CCOC(=O)[C@](O)(c1ccccc1)c1ccccc1F.
What is the InChIKey of ethyl (2S)-2-(2-fluorophenyl)-2-hydroxy-2-phenylacetate?
The InChIKey is WJDOCBAONAJTDL-INIZCTEOSA-N. The full InChI is InChI=1S/C16H15FO3/c1-2-20-15(18)16(19,12-8-4-3-5-9-12)13-10-6-7-11-14(13)17/h3-11,19H,2H2,1H3/t16-/m0/s1.
What are the key properties of ethyl (2S)-2-(2-fluorophenyl)-2-hydroxy-2-phenylacetate?
ethyl (2S)-2-(2-fluorophenyl)-2-hydroxy-2-phenylacetate has a molecular weight of 274.29 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-(2-fluorophenyl)-2-hydroxy-2-phenylacetate is sourced from PubChem (CID 138979287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).