2-nitro-1-(2,4,6-trimethylphenyl)ethanol

C11H15NO3 — CID 102401511

IUPAC2-nitro-1-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c(C(O)C[N+](=O)[O-])c(C)c1
InChIInChI=1S/C11H15NO3/c1-7-4-8(2)11(9(3)5-7)10(13)6-12(14)15/h4-5,10,13H,6H2,1-3H3
InChIKeyNHUJXLRKBJJRIM-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.92
Rot. Bonds3

About 2-nitro-1-(2,4,6-trimethylphenyl)ethanol

2-nitro-1-(2,4,6-trimethylphenyl)ethanol (PubChem CID 102401511) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-nitro-1-(2,4,6-trimethylphenyl)ethanol.

Molecular Properties

Compound Name2-nitro-1-(2,4,6-trimethylphenyl)ethanol
PubChem CID102401511
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name2-nitro-1-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c(C(O)C[N+](=O)[O-])c(C)c1
InChIInChI=1S/C11H15NO3/c1-7-4-8(2)11(9(3)5-7)10(13)6-12(14)15/h4-5,10,13H,6H2,1-3H3
InChIKeyNHUJXLRKBJJRIM-UHFFFAOYSA-N
XLogP1.92
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.92
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

1-(2-chloro-4,6-dimethylphenyl)-2-nitroethanol;ethane
CID 144911088
1-(4-methylphenyl)-2-nitroethanol
CID 11480820
1-(6-chloro-2-methoxy-4-methyl-3-pyridinyl)-2-nitroethanol;ethane
CID 177215701
(1R)-1-(2,6-dichloro-4-iodophenyl)-2-nitroethanol
CID 125467031
2-(hydroxyamino)-1-(2,4,6-trimethylphenyl)ethanol
CID 82112148
3-methyl-1-(2,4,6-trimethylphenyl)but-3-en-1-ol
CID 115816847
1-(2,4,6-trimethylphenyl)heptan-1-ol
CID 65148082
1-(2,4-dimethyl-6-nitrophenyl)-4-sulfanylbutane-1,2-diol
CID 171875246
(1S)-1-(7-methyl-1-benzofuran-2-yl)-2-nitroethanol
CID 132500627
1-(2,4-dimethyl-6-nitrophenyl)-3-(methylamino)propane-1,2-diol
CID 171859087
(5-nitrofuran-2-yl)-(2,4,6-trimethylphenyl)methanol
CID 61087360
4-(2,4-dimethyl-6-nitrophenyl)-3,4-dihydroxybutanamide
CID 171900328

Frequently Asked Questions

What is the IUPAC name of 2-nitro-1-(2,4,6-trimethylphenyl)ethanol?
The IUPAC name of 2-nitro-1-(2,4,6-trimethylphenyl)ethanol (CID 102401511) is 2-nitro-1-(2,4,6-trimethylphenyl)ethanol.
What is the SMILES notation for 2-nitro-1-(2,4,6-trimethylphenyl)ethanol?
The canonical SMILES for 2-nitro-1-(2,4,6-trimethylphenyl)ethanol is Cc1cc(C)c(C(O)C[N+](=O)[O-])c(C)c1.
What is the InChIKey of 2-nitro-1-(2,4,6-trimethylphenyl)ethanol?
The InChIKey is NHUJXLRKBJJRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7-4-8(2)11(9(3)5-7)10(13)6-12(14)15/h4-5,10,13H,6H2,1-3H3.
What are the key properties of 2-nitro-1-(2,4,6-trimethylphenyl)ethanol?
2-nitro-1-(2,4,6-trimethylphenyl)ethanol has a molecular weight of 209.24 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-1-(2,4,6-trimethylphenyl)ethanol is sourced from PubChem (CID 102401511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).