[(R)-(4-chlorophenyl)-cyanomethyl] methyl carbonate

C10H8ClNO3 — CID 102420635

IUPAC[(R)-(4-chlorophenyl)-cyanomethyl] methyl carbonate
SMILESCOC(=O)O[C@@H](C#N)c1ccc(Cl)cc1
InChIInChI=1S/C10H8ClNO3/c1-14-10(13)15-9(6-12)7-2-4-8(11)5-3-7/h2-5,9H,1H3/t9-/m0/s1
InChIKeyPNLLTSMGGFEQHA-VIFPVBQESA-N
MW225.63 g/mol
LogP2.69
Rot. Bonds2

About [(R)-(4-chlorophenyl)-cyanomethyl] methyl carbonate

[(R)-(4-chlorophenyl)-cyanomethyl] methyl carbonate (PubChem CID 102420635) has the molecular formula C10H8ClNO3 and a molecular weight of 225.63 g/mol. Its IUPAC name is [(R)-(4-chlorophenyl)-cyanomethyl] methyl carbonate.

Molecular Properties

Compound Name[(R)-(4-chlorophenyl)-cyanomethyl] methyl carbonate
PubChem CID102420635
Molecular FormulaC10H8ClNO3
Molecular Weight225.63 g/mol
Exact Mass225.02
IUPAC Name[(R)-(4-chlorophenyl)-cyanomethyl] methyl carbonate
SMILESCOC(=O)O[C@@H](C#N)c1ccc(Cl)cc1
InChIInChI=1S/C10H8ClNO3/c1-14-10(13)15-9(6-12)7-2-4-8(11)5-3-7/h2-5,9H,1H3/t9-/m0/s1
InChIKeyPNLLTSMGGFEQHA-VIFPVBQESA-N
XLogP2.69
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.63
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(S)-(4-chlorophenyl)-cyanomethyl] ethyl carbonate
CID 11310993
2-(4-chlorophenyl)-2-trimethylsilyloxyacetonitrile
CID 10776410
(2S)-2-(4-chlorophenyl)-3-oxobutanenitrile
CID 773172
methyl 2-acetamido-2-(4-chlorophenyl)acetate
CID 45100786
(2R)-2-(4-chlorophenyl)-4-methoxy-3-oxobutanenitrile
CID 41137891
[cyano(pyridin-2-yl)methyl] methyl carbonate
CID 11252507
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetonitrile
CID 10912974
tert-butyl N-[(4-chlorophenyl)-cyanomethyl]carbamate
CID 11242589
[(1S)-2-acetamido-1-(4-chlorophenyl)ethyl] acetate
CID 14954517
[1-(4-chlorophenyl)-2-methoxy-2-oxoethyl]azanium
CID 4656134
[(1R)-1-(4-chlorophenyl)-2-methoxy-2-oxoethyl]azanium
CID 7067068
[cyano-[3-(2,2-dichloroethenoxy)phenyl]methyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate
CID 54275261

Frequently Asked Questions

What is the IUPAC name of [(R)-(4-chlorophenyl)-cyanomethyl] methyl carbonate?
The IUPAC name of [(R)-(4-chlorophenyl)-cyanomethyl] methyl carbonate (CID 102420635) is [(R)-(4-chlorophenyl)-cyanomethyl] methyl carbonate.
What is the SMILES notation for [(R)-(4-chlorophenyl)-cyanomethyl] methyl carbonate?
The canonical SMILES for [(R)-(4-chlorophenyl)-cyanomethyl] methyl carbonate is COC(=O)O[C@@H](C#N)c1ccc(Cl)cc1.
What is the InChIKey of [(R)-(4-chlorophenyl)-cyanomethyl] methyl carbonate?
The InChIKey is PNLLTSMGGFEQHA-VIFPVBQESA-N. The full InChI is InChI=1S/C10H8ClNO3/c1-14-10(13)15-9(6-12)7-2-4-8(11)5-3-7/h2-5,9H,1H3/t9-/m0/s1.
What are the key properties of [(R)-(4-chlorophenyl)-cyanomethyl] methyl carbonate?
[(R)-(4-chlorophenyl)-cyanomethyl] methyl carbonate has a molecular weight of 225.63 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-(4-chlorophenyl)-cyanomethyl] methyl carbonate is sourced from PubChem (CID 102420635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).