4-[4-(4-hydroxy-2-nitrophenoxy)-3-nitrophenoxy]-3-nitrophenol

C18H11N3O10 — CID 91275856

IUPAC4-[4-(4-hydroxy-2-nitrophenoxy)-3-nitrophenoxy]-3-nitrophenol
SMILESO=[N+]([O-])c1cc(O)ccc1Oc1ccc(Oc2ccc(O)cc2[N+](=O)[O-])c([N+](=O)[O-])c1
InChIInChI=1S/C18H11N3O10/c22-10-1-4-16(13(7-10)19(24)25)30-12-3-6-18(15(9-12)21(28)29)31-17-5-2-11(23)8-14(17)20(26)27/h1-9,22-23H
InChIKeyGCJAXXWBNPGCRD-UHFFFAOYSA-N
MW429.30 g/mol
LogP4.41
Rot. Bonds7

About 4-[4-(4-hydroxy-2-nitrophenoxy)-3-nitrophenoxy]-3-nitrophenol

4-[4-(4-hydroxy-2-nitrophenoxy)-3-nitrophenoxy]-3-nitrophenol (PubChem CID 91275856) has the molecular formula C18H11N3O10 and a molecular weight of 429.30 g/mol. Its IUPAC name is 4-[4-(4-hydroxy-2-nitrophenoxy)-3-nitrophenoxy]-3-nitrophenol.

Molecular Properties

Compound Name4-[4-(4-hydroxy-2-nitrophenoxy)-3-nitrophenoxy]-3-nitrophenol
PubChem CID91275856
Molecular FormulaC18H11N3O10
Molecular Weight429.30 g/mol
Exact Mass429.04
IUPAC Name4-[4-(4-hydroxy-2-nitrophenoxy)-3-nitrophenoxy]-3-nitrophenol
SMILESO=[N+]([O-])c1cc(O)ccc1Oc1ccc(Oc2ccc(O)cc2[N+](=O)[O-])c([N+](=O)[O-])c1
InChIInChI=1S/C18H11N3O10/c22-10-1-4-16(13(7-10)19(24)25)30-12-3-6-18(15(9-12)21(28)29)31-17-5-2-11(23)8-14(17)20(26)27/h1-9,22-23H
InChIKeyGCJAXXWBNPGCRD-UHFFFAOYSA-N
XLogP4.41
TPSA188.34 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.30
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

3-(4-methoxy-2-nitrophenoxy)-5-methylphenol
CID 107680500
[4-(4-acetyloxy-2-nitrophenoxy)phenyl] acetate
CID 141129128
2-nitro-1,4-bis[2-(trifluoromethyl)phenoxy]benzene
CID 97178511
3-methoxy-4-(5-methoxy-2-nitrophenoxy)phenol
CID 163522418
3-nitro-4-[3-(4-nitrophenoxy)propoxy]phenol
CID 14595396
4-[4-[(3-bromophenyl)methoxy]-2-nitrophenoxy]phenol
CID 66808576
4-[4-chloro-3-(4-cyano-2-nitrophenoxy)phenoxy]-3-nitrobenzonitrile
CID 23961758
4-(5-fluoro-4-iodo-2-nitrophenoxy)phenol
CID 66100481
4-(4-methoxy-2-nitrophenoxy)aniline
CID 54908814
1-(4-bromo-2-nitrophenoxy)-4-methoxy-2-nitrobenzene
CID 55502713
4-methyl-1-(4-methyl-2-nitrophenoxy)-2-nitrobenzene
CID 19897914
4-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene
CID 57272170

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-hydroxy-2-nitrophenoxy)-3-nitrophenoxy]-3-nitrophenol?
The IUPAC name of 4-[4-(4-hydroxy-2-nitrophenoxy)-3-nitrophenoxy]-3-nitrophenol (CID 91275856) is 4-[4-(4-hydroxy-2-nitrophenoxy)-3-nitrophenoxy]-3-nitrophenol.
What is the SMILES notation for 4-[4-(4-hydroxy-2-nitrophenoxy)-3-nitrophenoxy]-3-nitrophenol?
The canonical SMILES for 4-[4-(4-hydroxy-2-nitrophenoxy)-3-nitrophenoxy]-3-nitrophenol is O=[N+]([O-])c1cc(O)ccc1Oc1ccc(Oc2ccc(O)cc2[N+](=O)[O-])c([N+](=O)[O-])c1.
What is the InChIKey of 4-[4-(4-hydroxy-2-nitrophenoxy)-3-nitrophenoxy]-3-nitrophenol?
The InChIKey is GCJAXXWBNPGCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3O10/c22-10-1-4-16(13(7-10)19(24)25)30-12-3-6-18(15(9-12)21(28)29)31-17-5-2-11(23)8-14(17)20(26)27/h1-9,22-23H.
What are the key properties of 4-[4-(4-hydroxy-2-nitrophenoxy)-3-nitrophenoxy]-3-nitrophenol?
4-[4-(4-hydroxy-2-nitrophenoxy)-3-nitrophenoxy]-3-nitrophenol has a molecular weight of 429.30 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-hydroxy-2-nitrophenoxy)-3-nitrophenoxy]-3-nitrophenol is sourced from PubChem (CID 91275856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).