2-(4-chlorophenoxy)-5-nitrophenol

C12H8ClNO4 — CID 150663089

IUPAC2-(4-chlorophenoxy)-5-nitrophenol
SMILESO=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2)c(O)c1
InChIInChI=1S/C12H8ClNO4/c13-8-1-4-10(5-2-8)18-12-6-3-9(14(16)17)7-11(12)15/h1-7,15H
InChIKeyJEHGEONQBODITH-UHFFFAOYSA-N
MW265.65 g/mol
LogP3.75
Rot. Bonds3

About 2-(4-chlorophenoxy)-5-nitrophenol

2-(4-chlorophenoxy)-5-nitrophenol (PubChem CID 150663089) has the molecular formula C12H8ClNO4 and a molecular weight of 265.65 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-5-nitrophenol.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-5-nitrophenol
PubChem CID150663089
Molecular FormulaC12H8ClNO4
Molecular Weight265.65 g/mol
Exact Mass265.01
IUPAC Name2-(4-chlorophenoxy)-5-nitrophenol
SMILESO=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2)c(O)c1
InChIInChI=1S/C12H8ClNO4/c13-8-1-4-10(5-2-8)18-12-6-3-9(14(16)17)7-11(12)15/h1-7,15H
InChIKeyJEHGEONQBODITH-UHFFFAOYSA-N
XLogP3.75
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.65
LogP ≤ 53.75
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'}

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Related Compounds

4-(2-hydroxy-4-nitrophenoxy)benzene-1,2-diol
CID 147971666
1-[2-(4-chlorophenoxy)-5-nitrophenyl]ethanone
CID 62873585
4-chloro-2-(4-nitrophenoxy)benzonitrile
CID 63092063
2-chloro-1-(4-methylphenoxy)-4-nitrobenzene
CID 2210667
4-(4-chlorophenoxy)-3-hydroxybenzonitrile
CID 135373937
2-chloro-1-(2,4-dichlorophenoxy)-4-nitrobenzene
CID 2726875
sodium;hydride;2-methoxy-5-nitrophenol
CID 173002361
[1-[2-fluoro-4-(2-hydroxy-4-nitrophenoxy)phenyl]-2-methylpropan-2-yl] carbamate
CID 68966884
2-(2-fluoro-4-nitrophenoxy)phenol
CID 60869522
2-butoxy-5-nitrophenol
CID 141158099
N-[[4-(4-chlorophenoxy)-3-nitrophenyl]methylidene]hydroxylamine
CID 1476960
[2-(3,5-dichlorophenoxy)-5-nitrophenyl]methanol
CID 43622036

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-5-nitrophenol?
The IUPAC name of 2-(4-chlorophenoxy)-5-nitrophenol (CID 150663089) is 2-(4-chlorophenoxy)-5-nitrophenol.
What is the SMILES notation for 2-(4-chlorophenoxy)-5-nitrophenol?
The canonical SMILES for 2-(4-chlorophenoxy)-5-nitrophenol is O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2)c(O)c1.
What is the InChIKey of 2-(4-chlorophenoxy)-5-nitrophenol?
The InChIKey is JEHGEONQBODITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO4/c13-8-1-4-10(5-2-8)18-12-6-3-9(14(16)17)7-11(12)15/h1-7,15H.
What are the key properties of 2-(4-chlorophenoxy)-5-nitrophenol?
2-(4-chlorophenoxy)-5-nitrophenol has a molecular weight of 265.65 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-5-nitrophenol is sourced from PubChem (CID 150663089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).