2,6-dimethyl-4-nitrophenol;ethane;methane

C11H19NO3 — CID 143297334

IUPAC2,6-dimethyl-4-nitrophenol;ethane;methane
SMILESC.CC.Cc1cc([N+](=O)[O-])cc(C)c1O
InChIInChI=1S/C8H9NO3.C2H6.CH4/c1-5-3-7(9(11)12)4-6(2)8(5)10;1-2;/h3-4,10H,1-2H3;1-2H3;1H4
InChIKeyNZKSHYYLYBIMLG-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.58
Rot. Bonds1

About 2,6-dimethyl-4-nitrophenol;ethane;methane

2,6-dimethyl-4-nitrophenol;ethane;methane (PubChem CID 143297334) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2,6-dimethyl-4-nitrophenol;ethane;methane.

Molecular Properties

Compound Name2,6-dimethyl-4-nitrophenol;ethane;methane
PubChem CID143297334
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2,6-dimethyl-4-nitrophenol;ethane;methane
SMILESC.CC.Cc1cc([N+](=O)[O-])cc(C)c1O
InChIInChI=1S/C8H9NO3.C2H6.CH4/c1-5-3-7(9(11)12)4-6(2)8(5)10;1-2;/h3-4,10H,1-2H3;1-2H3;1H4
InChIKeyNZKSHYYLYBIMLG-UHFFFAOYSA-N
XLogP3.58
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

sodium;hydride;2-methyl-4,6-dinitrophenol
CID 173366474
2-methyl-4,6-dinitrophenol;2-methyl-1,3,5-trinitrobenzene
CID 87639053
2-hydroxy-3-methyl-5-nitrobenzonitrile
CID 21255657
2-hydroxy-3-methyl-5-nitrobenzoic acid
CID 12571275
ethane-1,2-diol;2-methyl-4,6-dinitrophenol
CID 87637947
2,6-dimethyl-4-nitrophenolate
CID 6993803
2-chloro-3-methyl-5-nitrophenol
CID 119016327
(2,6-dimethyl-4-nitrophenyl)boronic acid
CID 130120841
2,6-dimethyl-4-[2-(4-nitrophenyl)ethenyl]phenol
CID 68740583
5-nitrobenzene-1,2,3-triol
CID 19910425
1,2-dimethyl-4-nitrobenzene;ethane
CID 90784792
tert-butyl N-(2-hydroxy-3-methyl-5-nitrophenyl)carbamate;ethane
CID 143884913

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-nitrophenol;ethane;methane?
The IUPAC name of 2,6-dimethyl-4-nitrophenol;ethane;methane (CID 143297334) is 2,6-dimethyl-4-nitrophenol;ethane;methane.
What is the SMILES notation for 2,6-dimethyl-4-nitrophenol;ethane;methane?
The canonical SMILES for 2,6-dimethyl-4-nitrophenol;ethane;methane is C.CC.Cc1cc([N+](=O)[O-])cc(C)c1O.
What is the InChIKey of 2,6-dimethyl-4-nitrophenol;ethane;methane?
The InChIKey is NZKSHYYLYBIMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3.C2H6.CH4/c1-5-3-7(9(11)12)4-6(2)8(5)10;1-2;/h3-4,10H,1-2H3;1-2H3;1H4.
What are the key properties of 2,6-dimethyl-4-nitrophenol;ethane;methane?
2,6-dimethyl-4-nitrophenol;ethane;methane has a molecular weight of 213.28 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-nitrophenol;ethane;methane is sourced from PubChem (CID 143297334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).