6-methoxy-3-nitro-2-(trifluoromethyl)phenol

C8H6F3NO4 — CID 71773097

IUPAC6-methoxy-3-nitro-2-(trifluoromethyl)phenol
SMILESCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1O
InChIInChI=1S/C8H6F3NO4/c1-16-5-3-2-4(12(14)15)6(7(5)13)8(9,10)11/h2-3,13H,1H3
InChIKeyXGBJGSCWILTNKZ-UHFFFAOYSA-N
MW237.13 g/mol
LogP2.33
Rot. Bonds2

About 6-methoxy-3-nitro-2-(trifluoromethyl)phenol

6-methoxy-3-nitro-2-(trifluoromethyl)phenol (PubChem CID 71773097) has the molecular formula C8H6F3NO4 and a molecular weight of 237.13 g/mol. Its IUPAC name is 6-methoxy-3-nitro-2-(trifluoromethyl)phenol.

Molecular Properties

Compound Name6-methoxy-3-nitro-2-(trifluoromethyl)phenol
PubChem CID71773097
Molecular FormulaC8H6F3NO4
Molecular Weight237.13 g/mol
Exact Mass237.02
IUPAC Name6-methoxy-3-nitro-2-(trifluoromethyl)phenol
SMILESCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1O
InChIInChI=1S/C8H6F3NO4/c1-16-5-3-2-4(12(14)15)6(7(5)13)8(9,10)11/h2-3,13H,1H3
InChIKeyXGBJGSCWILTNKZ-UHFFFAOYSA-N
XLogP2.33
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.13
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-methoxy-3-nitro-2-(trifluoromethyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methoxy-2-methyl-3-nitrophenol
CID 10058181
6-methoxy-3-nitro-2-(trifluoromethyl)benzenesulfonyl chloride
CID 172969886
6-methoxy-1-methyl-2-nitro-5-(trifluoromethyl)naphthalene
CID 15614968
2-hydroxy-3-methoxy-6-nitrobenzoic acid
CID 154429384
1-[2-methoxy-4-nitro-3-(trifluoromethyl)phenyl]ethanone
CID 171026183
1-methoxy-3-nitro-2-(1,1,2,2,2-pentafluoroethyl)benzene
CID 99770396
1-methoxy-2-nitro-4-(trifluoromethylsulfonyl)benzene
CID 1380916
4-fluoro-2-methoxy-6-nitrophenol
CID 134392027
[4-nitro-2,3-bis(trifluoromethyl)phenyl]methanol
CID 119020025
2-tert-butyl-3-methoxy-6-nitrobenzaldehyde
CID 118609286
2-methoxy-1-nitro-4-(trifluoromethoxy)benzene
CID 53417127
3-methoxy-6-(trifluoromethyl)benzene-1,2-diol
CID 84675773

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-nitro-2-(trifluoromethyl)phenol?
The IUPAC name of 6-methoxy-3-nitro-2-(trifluoromethyl)phenol (CID 71773097) is 6-methoxy-3-nitro-2-(trifluoromethyl)phenol.
What is the SMILES notation for 6-methoxy-3-nitro-2-(trifluoromethyl)phenol?
The canonical SMILES for 6-methoxy-3-nitro-2-(trifluoromethyl)phenol is COc1ccc([N+](=O)[O-])c(C(F)(F)F)c1O.
What is the InChIKey of 6-methoxy-3-nitro-2-(trifluoromethyl)phenol?
The InChIKey is XGBJGSCWILTNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO4/c1-16-5-3-2-4(12(14)15)6(7(5)13)8(9,10)11/h2-3,13H,1H3.
What are the key properties of 6-methoxy-3-nitro-2-(trifluoromethyl)phenol?
6-methoxy-3-nitro-2-(trifluoromethyl)phenol has a molecular weight of 237.13 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-nitro-2-(trifluoromethyl)phenol is sourced from PubChem (CID 71773097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).