[(2S)-1-nitroso-1,1-diphenylpropan-2-yl]benzene

C21H19NO — CID 118652854

IUPAC[(2S)-1-nitroso-1,1-diphenylpropan-2-yl]benzene
SMILESC[C@@H](c1ccccc1)C(N=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19NO/c1-17(18-11-5-2-6-12-18)21(22-23,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H3/t17-/m0/s1
InChIKeyZWDXPFQGQJRCLB-KRWDZBQOSA-N
MW301.39 g/mol
LogP5.50
Rot. Bonds5

About [(2S)-1-nitroso-1,1-diphenylpropan-2-yl]benzene

[(2S)-1-nitroso-1,1-diphenylpropan-2-yl]benzene (PubChem CID 118652854) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is [(2S)-1-nitroso-1,1-diphenylpropan-2-yl]benzene.

Molecular Properties

Compound Name[(2S)-1-nitroso-1,1-diphenylpropan-2-yl]benzene
PubChem CID118652854
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Name[(2S)-1-nitroso-1,1-diphenylpropan-2-yl]benzene
SMILESC[C@@H](c1ccccc1)C(N=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19NO/c1-17(18-11-5-2-6-12-18)21(22-23,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H3/t17-/m0/s1
InChIKeyZWDXPFQGQJRCLB-KRWDZBQOSA-N
XLogP5.50
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.39
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,2-triphenylpropane-1-thiol
CID 174950474
methyl(1,1,2-triphenylpropyl)phosphane
CID 69389648
2,2,3-triphenylbutane-1,1,1-triol
CID 19424795
[(2S)-2,3-diphenylbutan-2-yl]hydrazine
CID 118682088
1,1,2-triphenyl-N-silylpropan-1-amine
CID 173425344
(1-isocyanato-1,2,2-triphenylethyl)benzene
CID 140972079
2,2-bis(1-phenylethyl)propanediamide
CID 118221756
2-amino-3-phenylbutan-2-ol
CID 68615274
2-[1-(2-hydroxyethoxy)-1,2-diphenylpropoxy]ethanol
CID 70602135
(2R,4R)-2-methyl-2,4-diphenylpentanoic acid
CID 139765294
copper;cumene;manganese
CID 175691003
3,3,4-trimethylpentan-2-ylbenzene;yttrium(3+)
CID 20642617

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-nitroso-1,1-diphenylpropan-2-yl]benzene?
The IUPAC name of [(2S)-1-nitroso-1,1-diphenylpropan-2-yl]benzene (CID 118652854) is [(2S)-1-nitroso-1,1-diphenylpropan-2-yl]benzene.
What is the SMILES notation for [(2S)-1-nitroso-1,1-diphenylpropan-2-yl]benzene?
The canonical SMILES for [(2S)-1-nitroso-1,1-diphenylpropan-2-yl]benzene is C[C@@H](c1ccccc1)C(N=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2S)-1-nitroso-1,1-diphenylpropan-2-yl]benzene?
The InChIKey is ZWDXPFQGQJRCLB-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H19NO/c1-17(18-11-5-2-6-12-18)21(22-23,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H3/t17-/m0/s1.
What are the key properties of [(2S)-1-nitroso-1,1-diphenylpropan-2-yl]benzene?
[(2S)-1-nitroso-1,1-diphenylpropan-2-yl]benzene has a molecular weight of 301.39 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-nitroso-1,1-diphenylpropan-2-yl]benzene is sourced from PubChem (CID 118652854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).