5-(5-hydroxy-2,4-dinitrophenoxy)-2,4-dinitrophenol

C12H6N4O11 — CID 102273145

IUPAC5-(5-hydroxy-2,4-dinitrophenoxy)-2,4-dinitrophenol
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2cc(O)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1O
InChIInChI=1S/C12H6N4O11/c17-9-3-11(7(15(23)24)1-5(9)13(19)20)27-12-4-10(18)6(14(21)22)2-8(12)16(25)26/h1-4,17-18H
InChIKeyCSAHJMYYYOFKDR-UHFFFAOYSA-N
MW382.20 g/mol
LogP2.52
Rot. Bonds6

About 5-(5-hydroxy-2,4-dinitrophenoxy)-2,4-dinitrophenol

5-(5-hydroxy-2,4-dinitrophenoxy)-2,4-dinitrophenol (PubChem CID 102273145) has the molecular formula C12H6N4O11 and a molecular weight of 382.20 g/mol. Its IUPAC name is 5-(5-hydroxy-2,4-dinitrophenoxy)-2,4-dinitrophenol.

Molecular Properties

Compound Name5-(5-hydroxy-2,4-dinitrophenoxy)-2,4-dinitrophenol
PubChem CID102273145
Molecular FormulaC12H6N4O11
Molecular Weight382.20 g/mol
Exact Mass382.00
IUPAC Name5-(5-hydroxy-2,4-dinitrophenoxy)-2,4-dinitrophenol
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2cc(O)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1O
InChIInChI=1S/C12H6N4O11/c17-9-3-11(7(15(23)24)1-5(9)13(19)20)27-12-4-10(18)6(14(21)22)2-8(12)16(25)26/h1-4,17-18H
InChIKeyCSAHJMYYYOFKDR-UHFFFAOYSA-N
XLogP2.52
TPSA222.25 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.20
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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

5-cyclopentyloxy-2,4-dinitrophenol
CID 139703889
1-fluoro-5-(5-fluoro-2,4-dinitrophenoxy)-2,4-dinitrobenzene
CID 88688224
4-methoxy-5-nitrobenzene-1,2-diol
CID 86249066
3-(2,4-dinitrophenoxy)benzene-1,2-diol
CID 174671523
4-[4-(4-hydroxy-2-nitrophenoxy)-3-nitrophenoxy]-3-nitrophenol
CID 91275856
4-(4-hydroxy-2-methyl-5-nitrophenyl)-5-methyl-2-nitrophenol
CID 18172665
2-(2,5-dinitrophenoxy)-1,4-dinitrobenzene
CID 139890648
3-nitronaphthalen-2-ol
CID 15859501
4-(1,3-dioxolan-2-yl)-5-methoxy-2-nitrophenol
CID 134226494
4-hydroxy-2,5-dinitrobenzaldehyde
CID 118176049
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 5-(5-hydroxy-2,4-dinitrophenoxy)-2,4-dinitrophenol?
The IUPAC name of 5-(5-hydroxy-2,4-dinitrophenoxy)-2,4-dinitrophenol (CID 102273145) is 5-(5-hydroxy-2,4-dinitrophenoxy)-2,4-dinitrophenol.
What is the SMILES notation for 5-(5-hydroxy-2,4-dinitrophenoxy)-2,4-dinitrophenol?
The canonical SMILES for 5-(5-hydroxy-2,4-dinitrophenoxy)-2,4-dinitrophenol is O=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2cc(O)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1O.
What is the InChIKey of 5-(5-hydroxy-2,4-dinitrophenoxy)-2,4-dinitrophenol?
The InChIKey is CSAHJMYYYOFKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6N4O11/c17-9-3-11(7(15(23)24)1-5(9)13(19)20)27-12-4-10(18)6(14(21)22)2-8(12)16(25)26/h1-4,17-18H.
What are the key properties of 5-(5-hydroxy-2,4-dinitrophenoxy)-2,4-dinitrophenol?
5-(5-hydroxy-2,4-dinitrophenoxy)-2,4-dinitrophenol has a molecular weight of 382.20 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-hydroxy-2,4-dinitrophenoxy)-2,4-dinitrophenol is sourced from PubChem (CID 102273145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).