[(R)-cyano(naphthalen-2-yl)methyl] diethyl phosphate

C16H18NO4P — CID 71420194

IUPAC[(R)-cyano(naphthalen-2-yl)methyl] diethyl phosphate
SMILESCCOP(=O)(OCC)O[C@@H](C#N)c1ccc2ccccc2c1
InChIInChI=1S/C16H18NO4P/c1-3-19-22(18,20-4-2)21-16(12-17)15-10-9-13-7-5-6-8-14(13)11-15/h5-11,16H,3-4H2,1-2H3/t16-/m0/s1
InChIKeyOYLWRGIGSIHXMY-INIZCTEOSA-N
MW319.30 g/mol
LogP4.60
Rot. Bonds7

About [(R)-cyano(naphthalen-2-yl)methyl] diethyl phosphate

[(R)-cyano(naphthalen-2-yl)methyl] diethyl phosphate (PubChem CID 71420194) has the molecular formula C16H18NO4P and a molecular weight of 319.30 g/mol. Its IUPAC name is [(R)-cyano(naphthalen-2-yl)methyl] diethyl phosphate.

Molecular Properties

Compound Name[(R)-cyano(naphthalen-2-yl)methyl] diethyl phosphate
PubChem CID71420194
Molecular FormulaC16H18NO4P
Molecular Weight319.30 g/mol
Exact Mass319.10
IUPAC Name[(R)-cyano(naphthalen-2-yl)methyl] diethyl phosphate
SMILESCCOP(=O)(OCC)O[C@@H](C#N)c1ccc2ccccc2c1
InChIInChI=1S/C16H18NO4P/c1-3-19-22(18,20-4-2)21-16(12-17)15-10-9-13-7-5-6-8-14(13)11-15/h5-11,16H,3-4H2,1-2H3/t16-/m0/s1
InChIKeyOYLWRGIGSIHXMY-INIZCTEOSA-N
XLogP4.60
TPSA68.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.30
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-diethoxyphosphoryl-N-[diethoxyphosphoryl(naphthalen-2-yl)methyl]-1-naphthalen-2-ylmethanamine
CID 102252523
(2R)-2-naphthalen-2-yl-2-phenylmethoxyacetonitrile
CID 94037815
2-[ethoxy(propylsulfanyl)phosphoryl]oxy-2-phenylacetonitrile
CID 13392532
2-(3-hydroxybutan-2-yloxy)-2-naphthalen-2-ylacetonitrile
CID 103376285
diethyl [(1S)-1-phenylethyl] phosphate
CID 10945101
diethyl 2,3-dinaphthalen-2-ylbutanedioate
CID 611707
(2S,3R)-2-hydroxy-3-naphthalen-2-ylbutanenitrile
CID 100997633
2,3-dihydroxy-3-naphthalen-2-ylpropanenitrile
CID 171870416
2-methyl-1-naphthalen-2-ylbutan-1-amine
CID 63718165
(1-diethoxyphosphoryl-2-phenylsulfanylethyl) diethyl phosphate
CID 11683306
[1-(2-diethoxyphosphoryloxynaphthalen-1-yl)naphthalen-2-yl] diethyl phosphate
CID 11432924
ethyl N-[(1R,2R)-2-diethoxyphosphoryl-2-hydroxy-1-naphthalen-2-ylethyl]carbamate
CID 23420188

Frequently Asked Questions

What is the IUPAC name of [(R)-cyano(naphthalen-2-yl)methyl] diethyl phosphate?
The IUPAC name of [(R)-cyano(naphthalen-2-yl)methyl] diethyl phosphate (CID 71420194) is [(R)-cyano(naphthalen-2-yl)methyl] diethyl phosphate.
What is the SMILES notation for [(R)-cyano(naphthalen-2-yl)methyl] diethyl phosphate?
The canonical SMILES for [(R)-cyano(naphthalen-2-yl)methyl] diethyl phosphate is CCOP(=O)(OCC)O[C@@H](C#N)c1ccc2ccccc2c1.
What is the InChIKey of [(R)-cyano(naphthalen-2-yl)methyl] diethyl phosphate?
The InChIKey is OYLWRGIGSIHXMY-INIZCTEOSA-N. The full InChI is InChI=1S/C16H18NO4P/c1-3-19-22(18,20-4-2)21-16(12-17)15-10-9-13-7-5-6-8-14(13)11-15/h5-11,16H,3-4H2,1-2H3/t16-/m0/s1.
What are the key properties of [(R)-cyano(naphthalen-2-yl)methyl] diethyl phosphate?
[(R)-cyano(naphthalen-2-yl)methyl] diethyl phosphate has a molecular weight of 319.30 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-cyano(naphthalen-2-yl)methyl] diethyl phosphate is sourced from PubChem (CID 71420194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).