[2-benzyl-6-[(4-fluorophenyl)methyl]-3-(nitrosomethyl)phenyl]methanol

C22H20FNO2 — CID 91085130

IUPAC[2-benzyl-6-[(4-fluorophenyl)methyl]-3-(nitrosomethyl)phenyl]methanol
SMILESO=NCc1ccc(Cc2ccc(F)cc2)c(CO)c1Cc1ccccc1
InChIInChI=1S/C22H20FNO2/c23-20-10-6-17(7-11-20)12-18-8-9-19(14-24-26)21(22(18)15-25)13-16-4-2-1-3-5-16/h1-11,25H,12-15H2
InChIKeyKQASXNQIUYHWDB-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.77
Rot. Bonds7

About [2-benzyl-6-[(4-fluorophenyl)methyl]-3-(nitrosomethyl)phenyl]methanol

[2-benzyl-6-[(4-fluorophenyl)methyl]-3-(nitrosomethyl)phenyl]methanol (PubChem CID 91085130) has the molecular formula C22H20FNO2 and a molecular weight of 349.41 g/mol. Its IUPAC name is [2-benzyl-6-[(4-fluorophenyl)methyl]-3-(nitrosomethyl)phenyl]methanol.

Molecular Properties

Compound Name[2-benzyl-6-[(4-fluorophenyl)methyl]-3-(nitrosomethyl)phenyl]methanol
PubChem CID91085130
Molecular FormulaC22H20FNO2
Molecular Weight349.41 g/mol
Exact Mass349.15
IUPAC Name[2-benzyl-6-[(4-fluorophenyl)methyl]-3-(nitrosomethyl)phenyl]methanol
SMILESO=NCc1ccc(Cc2ccc(F)cc2)c(CO)c1Cc1ccccc1
InChIInChI=1S/C22H20FNO2/c23-20-10-6-17(7-11-20)12-18-8-9-19(14-24-26)21(22(18)15-25)13-16-4-2-1-3-5-16/h1-11,25H,12-15H2
InChIKeyKQASXNQIUYHWDB-UHFFFAOYSA-N
XLogP4.77
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[Methoxy(methyl)amino]-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]methanol
CID 59729412
Dimethylamino-[4-(5-fluoro-2-methylphenyl)phenyl]methanol
CID 68033425
2-[[4-(2,5-Dimethylphenyl)phenyl]methyl-methylamino]-1-(2-fluorophenyl)ethanol
CID 69622082
[2-Fluoro-3-[[[2-fluoro-4-[2-(trifluoromethyl)phenyl]phenyl]methyl-methylamino]methyl]phenyl]methanol
CID 69704882
4-[(1S)-4-(dimethylamino)-1-(4-fluorophenyl)-1-nitrosobutyl]-3-(hydroxymethyl)benzonitrile
CID 88264163
[2-Fluoro-4-(2-phenylethyl)phenyl]-nitrosomethanol
CID 89191350
[4-[(3,4-Difluorophenyl)-nitrosomethyl]phenyl]methanol
CID 90826377
[3-Benzyl-2-(hydroxymethyl)-4-(nitrosomethyl)phenyl]-(4-fluorophenyl)methanone
CID 90959939
[4-[1-[[4-Phenyl-3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]phenyl]methanol
CID 90981218
4-(Dimethylamino)-1-(4-fluorophenyl)-1-[2-(hydroxymethyl)-4-(nitrosomethyl)-3-tritylphenyl]butan-1-ol
CID 91123346
[4-[1-[[4-Cyclohexyl-3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]-2-ethylphenyl]methanol
CID 91227163
[3-[3-(Dimethylamino)propyl]-4-fluorophenyl]-[2-(hydroxymethyl)-4-(nitrosomethyl)-3-tritylphenyl]methanol
CID 91229291

Frequently Asked Questions

What is the IUPAC name of [2-benzyl-6-[(4-fluorophenyl)methyl]-3-(nitrosomethyl)phenyl]methanol?
The IUPAC name of [2-benzyl-6-[(4-fluorophenyl)methyl]-3-(nitrosomethyl)phenyl]methanol (CID 91085130) is [2-benzyl-6-[(4-fluorophenyl)methyl]-3-(nitrosomethyl)phenyl]methanol.
What is the SMILES notation for [2-benzyl-6-[(4-fluorophenyl)methyl]-3-(nitrosomethyl)phenyl]methanol?
The canonical SMILES for [2-benzyl-6-[(4-fluorophenyl)methyl]-3-(nitrosomethyl)phenyl]methanol is O=NCc1ccc(Cc2ccc(F)cc2)c(CO)c1Cc1ccccc1.
What is the InChIKey of [2-benzyl-6-[(4-fluorophenyl)methyl]-3-(nitrosomethyl)phenyl]methanol?
The InChIKey is KQASXNQIUYHWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO2/c23-20-10-6-17(7-11-20)12-18-8-9-19(14-24-26)21(22(18)15-25)13-16-4-2-1-3-5-16/h1-11,25H,12-15H2.
What are the key properties of [2-benzyl-6-[(4-fluorophenyl)methyl]-3-(nitrosomethyl)phenyl]methanol?
[2-benzyl-6-[(4-fluorophenyl)methyl]-3-(nitrosomethyl)phenyl]methanol has a molecular weight of 349.41 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-benzyl-6-[(4-fluorophenyl)methyl]-3-(nitrosomethyl)phenyl]methanol is sourced from PubChem (CID 91085130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).