ethyl (2R)-2-cyano-2-naphthalen-2-yl-2-phenylacetate

C21H17NO2 — CID 101110607

IUPACethyl (2R)-2-cyano-2-naphthalen-2-yl-2-phenylacetate
SMILESCCOC(=O)[C@](C#N)(c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C21H17NO2/c1-2-24-20(23)21(15-22,18-10-4-3-5-11-18)19-13-12-16-8-6-7-9-17(16)14-19/h3-14H,2H2,1H3/t21-/m1/s1
InChIKeyDVOKKJDQCFIQBZ-OAQYLSRUSA-N
MW315.37 g/mol
LogP4.21
Rot. Bonds4

About ethyl (2R)-2-cyano-2-naphthalen-2-yl-2-phenylacetate

ethyl (2R)-2-cyano-2-naphthalen-2-yl-2-phenylacetate (PubChem CID 101110607) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is ethyl (2R)-2-cyano-2-naphthalen-2-yl-2-phenylacetate.

Molecular Properties

Compound Nameethyl (2R)-2-cyano-2-naphthalen-2-yl-2-phenylacetate
PubChem CID101110607
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC Nameethyl (2R)-2-cyano-2-naphthalen-2-yl-2-phenylacetate
SMILESCCOC(=O)[C@](C#N)(c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C21H17NO2/c1-2-24-20(23)21(15-22,18-10-4-3-5-11-18)19-13-12-16-8-6-7-9-17(16)14-19/h3-14H,2H2,1H3/t21-/m1/s1
InChIKeyDVOKKJDQCFIQBZ-OAQYLSRUSA-N
XLogP4.21
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2,2-difluoro-2-naphthalen-2-ylacetate
CID 12585543
ethyl 2-(1-ethoxy-2-naphthalen-2-yl-1-oxopropan-2-yl)sulfanyl-2-naphthalen-2-ylpropanoate
CID 70225025
ethyl 2-(1-ethoxy-2-naphthalen-2-yl-1-oxobutan-2-yl)sulfanyl-2-naphthalen-2-ylbutanoate
CID 70222692
ethyl (2R)-3-fluoro-2-methyl-2-naphthalen-2-ylpropanoate
CID 155818749
ethyl 2-formyl-2-naphthalen-2-ylpent-4-enoate
CID 122202564
3-cyano-3-naphthalen-2-ylpentanedioic acid
CID 18333565
ethyl 5-amino-2-methyl-2-naphthalen-2-ylpentanoate
CID 117049792
2-amino-3-[(2-methylpropan-2-yl)oxy]-2-naphthalen-2-yl-3-oxopropanoic acid
CID 57348993
ethyl 2-methyl-2-naphthalen-2-yl-3-thiophen-2-ylpropanoate
CID 117048785
ethyl 3-cyano-2-hydroxy-2-phenylbut-3-enoate
CID 3640925
diethyl 2,2-bis(naphthalen-2-ylmethyl)propanedioate
CID 135347063
ethyl 3,3,3-trifluoro-2-methyl-2-phenylpropanoate;2,2,2-trifluoroacetic acid
CID 174398683

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-cyano-2-naphthalen-2-yl-2-phenylacetate?
The IUPAC name of ethyl (2R)-2-cyano-2-naphthalen-2-yl-2-phenylacetate (CID 101110607) is ethyl (2R)-2-cyano-2-naphthalen-2-yl-2-phenylacetate.
What is the SMILES notation for ethyl (2R)-2-cyano-2-naphthalen-2-yl-2-phenylacetate?
The canonical SMILES for ethyl (2R)-2-cyano-2-naphthalen-2-yl-2-phenylacetate is CCOC(=O)[C@](C#N)(c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of ethyl (2R)-2-cyano-2-naphthalen-2-yl-2-phenylacetate?
The InChIKey is DVOKKJDQCFIQBZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H17NO2/c1-2-24-20(23)21(15-22,18-10-4-3-5-11-18)19-13-12-16-8-6-7-9-17(16)14-19/h3-14H,2H2,1H3/t21-/m1/s1.
What are the key properties of ethyl (2R)-2-cyano-2-naphthalen-2-yl-2-phenylacetate?
ethyl (2R)-2-cyano-2-naphthalen-2-yl-2-phenylacetate has a molecular weight of 315.37 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-cyano-2-naphthalen-2-yl-2-phenylacetate is sourced from PubChem (CID 101110607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).