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

C15H14N2O6 — CID 3092239

IUPAC4-[2-(4-hydroxy-2-nitrophenyl)propan-2-yl]-3-nitrophenol
SMILESCC(C)(c1ccc(O)cc1[N+](=O)[O-])c1ccc(O)cc1[N+](=O)[O-]
InChIInChI=1S/C15H14N2O6/c1-15(2,11-5-3-9(18)7-13(11)16(20)21)12-6-4-10(19)8-14(12)17(22)23/h3-8,18-19H,1-2H3
InChIKeyBMCAPTJUXKXSBX-UHFFFAOYSA-N
MW318.29 g/mol
LogP3.24
Rot. Bonds4

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

4-[2-(4-hydroxy-2-nitrophenyl)propan-2-yl]-3-nitrophenol (PubChem CID 3092239) has the molecular formula C15H14N2O6 and a molecular weight of 318.29 g/mol. Its IUPAC name is 4-[2-(4-hydroxy-2-nitrophenyl)propan-2-yl]-3-nitrophenol.

Molecular Properties

Compound Name4-[2-(4-hydroxy-2-nitrophenyl)propan-2-yl]-3-nitrophenol
PubChem CID3092239
Molecular FormulaC15H14N2O6
Molecular Weight318.29 g/mol
Exact Mass318.09
IUPAC Name4-[2-(4-hydroxy-2-nitrophenyl)propan-2-yl]-3-nitrophenol
SMILESCC(C)(c1ccc(O)cc1[N+](=O)[O-])c1ccc(O)cc1[N+](=O)[O-]
InChIInChI=1S/C15H14N2O6/c1-15(2,11-5-3-9(18)7-13(11)16(20)21)12-6-4-10(19)8-14(12)17(22)23/h3-8,18-19H,1-2H3
InChIKeyBMCAPTJUXKXSBX-UHFFFAOYSA-N
XLogP3.24
TPSA126.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 53.24
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'}

Analyze 4-[2-(4-hydroxy-2-nitrophenyl)propan-2-yl]-3-nitrophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-hydroxy-2-nitrophenyl)sulfonyl-3-nitrophenol
CID 19786005
4-methyl-3-nitrophenol
CID 16271
4-hydroxy-2-nitrophenolate
CID 36690956
4-(methylamino)-3-nitrophenol
CID 22832045
4-[(3-hydroxy-2,2-dimethylpropyl)amino]-3-nitrophenol
CID 81411844
4-(1-hydroxyethyl)-3-nitrophenol
CID 143117945
3-nitro-4-prop-1-en-2-ylphenol
CID 155581296
azane;4-nitro-3-(trifluoromethyl)phenol
CID 171929211
3-[(1S,2R)-1-amino-2-hydroxy-3,3-dimethylbutyl]-4-nitrophenol
CID 171268582
3-amino-4-nitrophenol;ethane
CID 142035460
ethane;4-(1-hydroxyethyl)-3-nitrophenol
CID 143117944
N,N-diethylethanamine;3,4-dinitrophenol
CID 71360717

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxy-2-nitrophenyl)propan-2-yl]-3-nitrophenol?
The IUPAC name of 4-[2-(4-hydroxy-2-nitrophenyl)propan-2-yl]-3-nitrophenol (CID 3092239) is 4-[2-(4-hydroxy-2-nitrophenyl)propan-2-yl]-3-nitrophenol.
What is the SMILES notation for 4-[2-(4-hydroxy-2-nitrophenyl)propan-2-yl]-3-nitrophenol?
The canonical SMILES for 4-[2-(4-hydroxy-2-nitrophenyl)propan-2-yl]-3-nitrophenol is CC(C)(c1ccc(O)cc1[N+](=O)[O-])c1ccc(O)cc1[N+](=O)[O-].
What is the InChIKey of 4-[2-(4-hydroxy-2-nitrophenyl)propan-2-yl]-3-nitrophenol?
The InChIKey is BMCAPTJUXKXSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O6/c1-15(2,11-5-3-9(18)7-13(11)16(20)21)12-6-4-10(19)8-14(12)17(22)23/h3-8,18-19H,1-2H3.
What are the key properties of 4-[2-(4-hydroxy-2-nitrophenyl)propan-2-yl]-3-nitrophenol?
4-[2-(4-hydroxy-2-nitrophenyl)propan-2-yl]-3-nitrophenol has a molecular weight of 318.29 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxy-2-nitrophenyl)propan-2-yl]-3-nitrophenol is sourced from PubChem (CID 3092239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).