4-(4-hydroxy-2-methyl-5-nitrophenyl)-5-methyl-2-nitrophenol

C14H12N2O6 — CID 18172665

IUPAC4-(4-hydroxy-2-methyl-5-nitrophenyl)-5-methyl-2-nitrophenol
SMILESCc1cc(O)c([N+](=O)[O-])cc1-c1cc([N+](=O)[O-])c(O)cc1C
InChIInChI=1S/C14H12N2O6/c1-7-3-13(17)11(15(19)20)5-9(7)10-6-12(16(21)22)14(18)4-8(10)2/h3-6,17-18H,1-2H3
InChIKeyOSOQQBZPCOQBQL-UHFFFAOYSA-N
MW304.26 g/mol
LogP3.20
Rot. Bonds3

About 4-(4-hydroxy-2-methyl-5-nitrophenyl)-5-methyl-2-nitrophenol

4-(4-hydroxy-2-methyl-5-nitrophenyl)-5-methyl-2-nitrophenol (PubChem CID 18172665) has the molecular formula C14H12N2O6 and a molecular weight of 304.26 g/mol. Its IUPAC name is 4-(4-hydroxy-2-methyl-5-nitrophenyl)-5-methyl-2-nitrophenol.

Molecular Properties

Compound Name4-(4-hydroxy-2-methyl-5-nitrophenyl)-5-methyl-2-nitrophenol
PubChem CID18172665
Molecular FormulaC14H12N2O6
Molecular Weight304.26 g/mol
Exact Mass304.07
IUPAC Name4-(4-hydroxy-2-methyl-5-nitrophenyl)-5-methyl-2-nitrophenol
SMILESCc1cc(O)c([N+](=O)[O-])cc1-c1cc([N+](=O)[O-])c(O)cc1C
InChIInChI=1S/C14H12N2O6/c1-7-3-13(17)11(15(19)20)5-9(7)10-6-12(16(21)22)14(18)4-8(10)2/h3-6,17-18H,1-2H3
InChIKeyOSOQQBZPCOQBQL-UHFFFAOYSA-N
XLogP3.20
TPSA126.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 53.20
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

4-hydroxy-2-methyl-5-nitrobenzaldehyde
CID 86664213
5-bromo-4-methyl-2-nitrophenol
CID 82184524
ethane;methyl 4-hydroxy-2-methyl-5-nitrobenzoate
CID 143821268
2-amino-5-methyl-4-nitrophenol
CID 12781867
5-methyl-4-nitro-2-propan-2-ylphenol
CID 713200
6-hydroxy-4-methyl-7-nitrochromen-2-one
CID 10987809
4-methyl-3-nitrophenol
CID 16271
5-methyl-3-nitrobenzene-1,2-diol
CID 3976897
5-(5-hydroxy-2,4-dinitrophenoxy)-2,4-dinitrophenol
CID 102273145
3-nitronaphthalen-2-ol
CID 15859501
3,3'-dinitro-9,9'-spirobi[fluorene]-2,2'-diol;ethane
CID 144999063
5-chloro-2-methoxy-4-methylaniline;4-chloro-5-methyl-2-nitrophenol
CID 160662548

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-2-methyl-5-nitrophenyl)-5-methyl-2-nitrophenol?
The IUPAC name of 4-(4-hydroxy-2-methyl-5-nitrophenyl)-5-methyl-2-nitrophenol (CID 18172665) is 4-(4-hydroxy-2-methyl-5-nitrophenyl)-5-methyl-2-nitrophenol.
What is the SMILES notation for 4-(4-hydroxy-2-methyl-5-nitrophenyl)-5-methyl-2-nitrophenol?
The canonical SMILES for 4-(4-hydroxy-2-methyl-5-nitrophenyl)-5-methyl-2-nitrophenol is Cc1cc(O)c([N+](=O)[O-])cc1-c1cc([N+](=O)[O-])c(O)cc1C.
What is the InChIKey of 4-(4-hydroxy-2-methyl-5-nitrophenyl)-5-methyl-2-nitrophenol?
The InChIKey is OSOQQBZPCOQBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O6/c1-7-3-13(17)11(15(19)20)5-9(7)10-6-12(16(21)22)14(18)4-8(10)2/h3-6,17-18H,1-2H3.
What are the key properties of 4-(4-hydroxy-2-methyl-5-nitrophenyl)-5-methyl-2-nitrophenol?
4-(4-hydroxy-2-methyl-5-nitrophenyl)-5-methyl-2-nitrophenol has a molecular weight of 304.26 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-2-methyl-5-nitrophenyl)-5-methyl-2-nitrophenol is sourced from PubChem (CID 18172665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).