3,3-dimethyl-4-(4-nitrosophenyl)butan-2-ol

C12H17NO2 — CID 91542260

IUPAC3,3-dimethyl-4-(4-nitrosophenyl)butan-2-ol
SMILESCC(O)C(C)(C)Cc1ccc(N=O)cc1
InChIInChI=1S/C12H17NO2/c1-9(14)12(2,3)8-10-4-6-11(13-15)7-5-10/h4-7,9,14H,8H2,1-3H3
InChIKeyVGGGDJCRYNHLBL-UHFFFAOYSA-N
MW207.27 g/mol
LogP3.03
Rot. Bonds4

About 3,3-dimethyl-4-(4-nitrosophenyl)butan-2-ol

3,3-dimethyl-4-(4-nitrosophenyl)butan-2-ol (PubChem CID 91542260) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3,3-dimethyl-4-(4-nitrosophenyl)butan-2-ol.

Molecular Properties

Compound Name3,3-dimethyl-4-(4-nitrosophenyl)butan-2-ol
PubChem CID91542260
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3,3-dimethyl-4-(4-nitrosophenyl)butan-2-ol
SMILESCC(O)C(C)(C)Cc1ccc(N=O)cc1
InChIInChI=1S/C12H17NO2/c1-9(14)12(2,3)8-10-4-6-11(13-15)7-5-10/h4-7,9,14H,8H2,1-3H3
InChIKeyVGGGDJCRYNHLBL-UHFFFAOYSA-N
XLogP3.03
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-(4-nitrosophenyl)butanoic acid
CID 141439546
(2S)-2-(methylamino)-3-(4-nitrosophenyl)propanoic acid
CID 87160130
1-(2-azidopropyl)-4-nitrosobenzene
CID 173493901
(2S,3R)-3-benzyl-4,4-dimethylpentane-2,3-diol
CID 10922116
2-methyl-N-[[4-[(4-nitrosophenyl)methoxy]phenyl]methyl]propan-2-amine
CID 89228032
1-(1,1-diphenylethyl)-4-nitrosobenzene
CID 155112737
1-fluoro-4-(2,2,3-trimethylbutyl)benzene
CID 59019242
2,2,4-trimethyl-1,5-diphenylpentan-3-ol
CID 139443987
1-(4-methylpentan-2-yl)-4-nitrosobenzene
CID 138456067
2,2,4,4-tetramethyl-1-phenylpentan-3-ol
CID 57049291
1-tert-butyl-4-(4-nitrosophenyl)benzene
CID 3025980
3-(aminomethyl)-4-(4-bromophenyl)-3-methylbutan-2-ol
CID 65393001

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(4-nitrosophenyl)butan-2-ol?
The IUPAC name of 3,3-dimethyl-4-(4-nitrosophenyl)butan-2-ol (CID 91542260) is 3,3-dimethyl-4-(4-nitrosophenyl)butan-2-ol.
What is the SMILES notation for 3,3-dimethyl-4-(4-nitrosophenyl)butan-2-ol?
The canonical SMILES for 3,3-dimethyl-4-(4-nitrosophenyl)butan-2-ol is CC(O)C(C)(C)Cc1ccc(N=O)cc1.
What is the InChIKey of 3,3-dimethyl-4-(4-nitrosophenyl)butan-2-ol?
The InChIKey is VGGGDJCRYNHLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(14)12(2,3)8-10-4-6-11(13-15)7-5-10/h4-7,9,14H,8H2,1-3H3.
What are the key properties of 3,3-dimethyl-4-(4-nitrosophenyl)butan-2-ol?
3,3-dimethyl-4-(4-nitrosophenyl)butan-2-ol has a molecular weight of 207.27 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(4-nitrosophenyl)butan-2-ol is sourced from PubChem (CID 91542260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).