4-[2-[4-[2-(4-hydroxy-3-nitrophenyl)propan-2-yl]phenyl]propan-2-yl]-2-nitrophenol

C24H24N2O6 — CID 19356840

IUPAC4-[2-[4-[2-(4-hydroxy-3-nitrophenyl)propan-2-yl]phenyl]propan-2-yl]-2-nitrophenol
SMILESCC(C)(c1ccc(C(C)(C)c2ccc(O)c([N+](=O)[O-])c2)cc1)c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C24H24N2O6/c1-23(2,17-9-11-21(27)19(13-17)25(29)30)15-5-7-16(8-6-15)24(3,4)18-10-12-22(28)20(14-18)26(31)32/h5-14,27-28H,1-4H3
InChIKeyGVAVAFQBNHWPKT-UHFFFAOYSA-N
MW436.46 g/mol
LogP5.57
Rot. Bonds6

About 4-[2-[4-[2-(4-hydroxy-3-nitrophenyl)propan-2-yl]phenyl]propan-2-yl]-2-nitrophenol

4-[2-[4-[2-(4-hydroxy-3-nitrophenyl)propan-2-yl]phenyl]propan-2-yl]-2-nitrophenol (PubChem CID 19356840) has the molecular formula C24H24N2O6 and a molecular weight of 436.46 g/mol. Its IUPAC name is 4-[2-[4-[2-(4-hydroxy-3-nitrophenyl)propan-2-yl]phenyl]propan-2-yl]-2-nitrophenol.

Molecular Properties

Compound Name4-[2-[4-[2-(4-hydroxy-3-nitrophenyl)propan-2-yl]phenyl]propan-2-yl]-2-nitrophenol
PubChem CID19356840
Molecular FormulaC24H24N2O6
Molecular Weight436.46 g/mol
Exact Mass436.16
IUPAC Name4-[2-[4-[2-(4-hydroxy-3-nitrophenyl)propan-2-yl]phenyl]propan-2-yl]-2-nitrophenol
SMILESCC(C)(c1ccc(C(C)(C)c2ccc(O)c([N+](=O)[O-])c2)cc1)c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C24H24N2O6/c1-23(2,17-9-11-21(27)19(13-17)25(29)30)15-5-7-16(8-6-15)24(3,4)18-10-12-22(28)20(14-18)26(31)32/h5-14,27-28H,1-4H3
InChIKeyGVAVAFQBNHWPKT-UHFFFAOYSA-N
XLogP5.57
TPSA126.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.46
LogP ≤ 55.57
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-[2-(4-hydroxy-3-nitrophenyl)butan-2-yl]-2-nitrophenol
CID 139610575
4-[1-(3-tert-butylphenyl)-2,2,2-trifluoro-1-(4-hydroxy-3-nitrophenyl)ethyl]-2-nitrophenol
CID 141179078
copper;tetrakis(2,4-dinitrophenol);methanol
CID 11985774
azane;2,4-dinitrophenol;hydrate
CID 174664401
2-nitro-4-(2-phenylpropan-2-yl)benzenediazonium chloride
CID 14204964
4-(ethylamino)-2-nitrophenol
CID 57133971
2-nitro-4-[2,2,2-trifluoro-1-(4-hydroxy-3-nitrophenyl)-1-naphthalen-2-ylethyl]phenol
CID 139934179
4-tert-butyl-2-nitrophenolate
CID 101202828
acetic acid;bis(2,4-dinitrophenol)
CID 88801874
4-methyl-2-nitrophenol;4-methylphenol
CID 21439085
tert-butyl pyrrolidine-1-carboxylate;2-nitro-4-(trifluoromethyl)phenol
CID 145268921
4-tert-butyl-2-[2-(2-nitrophenyl)hydrazinyl]phenol
CID 71446292

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-(4-hydroxy-3-nitrophenyl)propan-2-yl]phenyl]propan-2-yl]-2-nitrophenol?
The IUPAC name of 4-[2-[4-[2-(4-hydroxy-3-nitrophenyl)propan-2-yl]phenyl]propan-2-yl]-2-nitrophenol (CID 19356840) is 4-[2-[4-[2-(4-hydroxy-3-nitrophenyl)propan-2-yl]phenyl]propan-2-yl]-2-nitrophenol.
What is the SMILES notation for 4-[2-[4-[2-(4-hydroxy-3-nitrophenyl)propan-2-yl]phenyl]propan-2-yl]-2-nitrophenol?
The canonical SMILES for 4-[2-[4-[2-(4-hydroxy-3-nitrophenyl)propan-2-yl]phenyl]propan-2-yl]-2-nitrophenol is CC(C)(c1ccc(C(C)(C)c2ccc(O)c([N+](=O)[O-])c2)cc1)c1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of 4-[2-[4-[2-(4-hydroxy-3-nitrophenyl)propan-2-yl]phenyl]propan-2-yl]-2-nitrophenol?
The InChIKey is GVAVAFQBNHWPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6/c1-23(2,17-9-11-21(27)19(13-17)25(29)30)15-5-7-16(8-6-15)24(3,4)18-10-12-22(28)20(14-18)26(31)32/h5-14,27-28H,1-4H3.
What are the key properties of 4-[2-[4-[2-(4-hydroxy-3-nitrophenyl)propan-2-yl]phenyl]propan-2-yl]-2-nitrophenol?
4-[2-[4-[2-(4-hydroxy-3-nitrophenyl)propan-2-yl]phenyl]propan-2-yl]-2-nitrophenol has a molecular weight of 436.46 g/mol, XLogP of 5.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[2-(4-hydroxy-3-nitrophenyl)propan-2-yl]phenyl]propan-2-yl]-2-nitrophenol is sourced from PubChem (CID 19356840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).