3-(3-hydroxy-5-nitrophenyl)-5-nitrophenol

C12H8N2O6 — CID 139845481

IUPAC3-(3-hydroxy-5-nitrophenyl)-5-nitrophenol
SMILESO=[N+]([O-])c1cc(O)cc(-c2cc(O)cc([N+](=O)[O-])c2)c1
InChIInChI=1S/C12H8N2O6/c15-11-3-7(1-9(5-11)13(17)18)8-2-10(14(19)20)6-12(16)4-8/h1-6,15-16H
InChIKeyQTRDNNVCQRAPGQ-UHFFFAOYSA-N
MW276.20 g/mol
LogP2.58
Rot. Bonds3

About 3-(3-hydroxy-5-nitrophenyl)-5-nitrophenol

3-(3-hydroxy-5-nitrophenyl)-5-nitrophenol (PubChem CID 139845481) has the molecular formula C12H8N2O6 and a molecular weight of 276.20 g/mol. Its IUPAC name is 3-(3-hydroxy-5-nitrophenyl)-5-nitrophenol.

Molecular Properties

Compound Name3-(3-hydroxy-5-nitrophenyl)-5-nitrophenol
PubChem CID139845481
Molecular FormulaC12H8N2O6
Molecular Weight276.20 g/mol
Exact Mass276.04
IUPAC Name3-(3-hydroxy-5-nitrophenyl)-5-nitrophenol
SMILESO=[N+]([O-])c1cc(O)cc(-c2cc(O)cc([N+](=O)[O-])c2)c1
InChIInChI=1S/C12H8N2O6/c15-11-3-7(1-9(5-11)13(17)18)8-2-10(14(19)20)6-12(16)4-8/h1-6,15-16H
InChIKeyQTRDNNVCQRAPGQ-UHFFFAOYSA-N
XLogP2.58
TPSA126.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

tris(3,5-dinitrophenol);samarium
CID 10818480
3-hydroxy-5-nitrobenzaldehyde
CID 10580244
formamide;3-nitro-5-(4-phenoxyphenyl)phenol
CID 178084048
3-ethynyl-5-nitrophenol
CID 167740962
3-(3-hydroxyphenyl)-5-nitrobenzoic acid
CID 53224979
3-(4-hydroxyphenyl)-5-nitrobenzoic acid
CID 53225002
3-(2-aminopropan-2-yl)-5-nitrophenol
CID 159389626
8-nitrotricyclo[5.2.2.12,6]dodeca-1(9),2(12),3,5,7,10-hexaen-4-ol
CID 56622147
5-nitrobenzene-1,2,3-triol
CID 19910425
3-hydroxy-N,N-dimethyl-5-nitrobenzamide
CID 124705788
3-(4-nitrophenyl)phenol
CID 15743438
2,5-dinitrobenzene-1,3-diol
CID 89183388

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-5-nitrophenyl)-5-nitrophenol?
The IUPAC name of 3-(3-hydroxy-5-nitrophenyl)-5-nitrophenol (CID 139845481) is 3-(3-hydroxy-5-nitrophenyl)-5-nitrophenol.
What is the SMILES notation for 3-(3-hydroxy-5-nitrophenyl)-5-nitrophenol?
The canonical SMILES for 3-(3-hydroxy-5-nitrophenyl)-5-nitrophenol is O=[N+]([O-])c1cc(O)cc(-c2cc(O)cc([N+](=O)[O-])c2)c1.
What is the InChIKey of 3-(3-hydroxy-5-nitrophenyl)-5-nitrophenol?
The InChIKey is QTRDNNVCQRAPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O6/c15-11-3-7(1-9(5-11)13(17)18)8-2-10(14(19)20)6-12(16)4-8/h1-6,15-16H.
What are the key properties of 3-(3-hydroxy-5-nitrophenyl)-5-nitrophenol?
3-(3-hydroxy-5-nitrophenyl)-5-nitrophenol has a molecular weight of 276.20 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-5-nitrophenyl)-5-nitrophenol is sourced from PubChem (CID 139845481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).