4-(2,2-dimethyl-1-nitrosopropyl)phenol

C11H15NO2 — CID 54551031

IUPAC4-(2,2-dimethyl-1-nitrosopropyl)phenol
SMILESCC(C)(C)C(N=O)c1ccc(O)cc1
InChIInChI=1S/C11H15NO2/c1-11(2,3)10(12-14)8-4-6-9(13)7-5-8/h4-7,10,13H,1-3H3
InChIKeyZJXWNHMPFMCOPH-UHFFFAOYSA-N
MW193.25 g/mol
LogP3.25
Rot. Bonds2

About 4-(2,2-dimethyl-1-nitrosopropyl)phenol

4-(2,2-dimethyl-1-nitrosopropyl)phenol (PubChem CID 54551031) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-(2,2-dimethyl-1-nitrosopropyl)phenol.

Molecular Properties

Compound Name4-(2,2-dimethyl-1-nitrosopropyl)phenol
PubChem CID54551031
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name4-(2,2-dimethyl-1-nitrosopropyl)phenol
SMILESCC(C)(C)C(N=O)c1ccc(O)cc1
InChIInChI=1S/C11H15NO2/c1-11(2,3)10(12-14)8-4-6-9(13)7-5-8/h4-7,10,13H,1-3H3
InChIKeyZJXWNHMPFMCOPH-UHFFFAOYSA-N
XLogP3.25
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(4-hydroxyphenyl)-2,2-dimethylpropyl]phenol
CID 15597034
4-(1-fluoro-2,2-dimethylpropyl)phenol
CID 83855784
4-(1,2-dinitrosoethyl)phenol
CID 57148663
tert-butyl N-[(2S)-2-(4-hydroxyphenyl)propyl]carbamate
CID 129383215
4-[1-(4-hydroxyphenyl)ethyl]phenol
CID 608116
4-[1-(4-hydroxyphenyl)-3,3-dimethylbutyl]phenol
CID 147387677
4-[4-(hydroxymethyl)-2,2,5,5-tetramethylhexan-3-yl]phenol
CID 71234769
4-[1-(3-methylbutan-2-ylamino)ethyl]phenol
CID 43131345
4-(1-amino-2,2-difluoropropyl)phenol
CID 84660941
2-(4-hydroxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 20564816
methane;4-propan-2-ylphenol
CID 159328733
4-[(1S)-1-amino-2-methylpropyl]phenol
CID 55278792

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethyl-1-nitrosopropyl)phenol?
The IUPAC name of 4-(2,2-dimethyl-1-nitrosopropyl)phenol (CID 54551031) is 4-(2,2-dimethyl-1-nitrosopropyl)phenol.
What is the SMILES notation for 4-(2,2-dimethyl-1-nitrosopropyl)phenol?
The canonical SMILES for 4-(2,2-dimethyl-1-nitrosopropyl)phenol is CC(C)(C)C(N=O)c1ccc(O)cc1.
What is the InChIKey of 4-(2,2-dimethyl-1-nitrosopropyl)phenol?
The InChIKey is ZJXWNHMPFMCOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-11(2,3)10(12-14)8-4-6-9(13)7-5-8/h4-7,10,13H,1-3H3.
What are the key properties of 4-(2,2-dimethyl-1-nitrosopropyl)phenol?
4-(2,2-dimethyl-1-nitrosopropyl)phenol has a molecular weight of 193.25 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethyl-1-nitrosopropyl)phenol is sourced from PubChem (CID 54551031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).