4-[4-nitro-2-(trifluoromethyl)phenoxy]phenol

C13H8F3NO4 — CID 13208372

IUPAC4-[4-nitro-2-(trifluoromethyl)phenoxy]phenol
SMILESO=[N+]([O-])c1ccc(Oc2ccc(O)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C13H8F3NO4/c14-13(15,16)11-7-8(17(19)20)1-6-12(11)21-10-4-2-9(18)3-5-10/h1-7,18H
InChIKeyYBLILQROHGRDQS-UHFFFAOYSA-N
MW299.20 g/mol
LogP4.11
Rot. Bonds3

About 4-[4-nitro-2-(trifluoromethyl)phenoxy]phenol

4-[4-nitro-2-(trifluoromethyl)phenoxy]phenol (PubChem CID 13208372) has the molecular formula C13H8F3NO4 and a molecular weight of 299.20 g/mol. Its IUPAC name is 4-[4-nitro-2-(trifluoromethyl)phenoxy]phenol.

Molecular Properties

Compound Name4-[4-nitro-2-(trifluoromethyl)phenoxy]phenol
PubChem CID13208372
Molecular FormulaC13H8F3NO4
Molecular Weight299.20 g/mol
Exact Mass299.04
IUPAC Name4-[4-nitro-2-(trifluoromethyl)phenoxy]phenol
SMILESO=[N+]([O-])c1ccc(Oc2ccc(O)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C13H8F3NO4/c14-13(15,16)11-7-8(17(19)20)1-6-12(11)21-10-4-2-9(18)3-5-10/h1-7,18H
InChIKeyYBLILQROHGRDQS-UHFFFAOYSA-N
XLogP4.11
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 54.11
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 4-[4-nitro-2-(trifluoromethyl)phenoxy]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

1-chloro-4-nitro-2-(trifluoromethyl)benzene;4-[(4-hydroxyphenyl)-phenylphosphoryl]phenol;4-nitro-1-[4-[[4-[4-nitro-2-(trifluoromethyl)phenoxy]phenyl]-phenylphosphoryl]phenoxy]-2-(trifluoromethyl)benzene
CID 159045288
N-[4-(4-nitrophenoxy)-3-(trifluoromethyl)phenyl]carbamate
CID 69143330
3-[4-nitro-2-(trifluoromethyl)phenoxy]benzoate
CID 6923587
1-[4-[4-nitro-2-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine
CID 99771193
4-[4-nitro-2-(trifluoromethyl)phenoxy]-N-[3-nitro-5-(trifluoromethyl)phenyl]benzamide
CID 176915777
5-[3,5-dimethyl-4-[4-nitro-2-(trifluoromethyl)phenoxy]phenyl]-1,3-dimethyl-2-[4-nitro-2-(trifluoromethyl)phenoxy]benzene
CID 141196141
4-[4-(difluoromethyl)-2-(trifluoromethyl)phenoxy]phenol
CID 175703353
N-[2-methyl-4-[4-nitro-2-(trifluoromethyl)phenoxy]phenyl]-4-nitrobenzamide
CID 176915775
4-(5-nitro-2-phenylphenoxy)phenol
CID 70376187
2-(1H-benzimidazol-2-yl)-3-[4-[4-nitro-2-(trifluoromethyl)phenoxy]phenyl]prop-2-enenitrile
CID 5083643
4-(2-hydroxy-4-nitrophenoxy)benzene-1,2-diol
CID 147971666
2-(4-chlorophenoxy)-5-nitrophenol
CID 150663089

Frequently Asked Questions

What is the IUPAC name of 4-[4-nitro-2-(trifluoromethyl)phenoxy]phenol?
The IUPAC name of 4-[4-nitro-2-(trifluoromethyl)phenoxy]phenol (CID 13208372) is 4-[4-nitro-2-(trifluoromethyl)phenoxy]phenol.
What is the SMILES notation for 4-[4-nitro-2-(trifluoromethyl)phenoxy]phenol?
The canonical SMILES for 4-[4-nitro-2-(trifluoromethyl)phenoxy]phenol is O=[N+]([O-])c1ccc(Oc2ccc(O)cc2)c(C(F)(F)F)c1.
What is the InChIKey of 4-[4-nitro-2-(trifluoromethyl)phenoxy]phenol?
The InChIKey is YBLILQROHGRDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO4/c14-13(15,16)11-7-8(17(19)20)1-6-12(11)21-10-4-2-9(18)3-5-10/h1-7,18H.
What are the key properties of 4-[4-nitro-2-(trifluoromethyl)phenoxy]phenol?
4-[4-nitro-2-(trifluoromethyl)phenoxy]phenol has a molecular weight of 299.20 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-nitro-2-(trifluoromethyl)phenoxy]phenol is sourced from PubChem (CID 13208372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).