2,3-diethoxy-4,6-dinitrophenol

C10H12N2O7 — CID 156633172

IUPAC2,3-diethoxy-4,6-dinitrophenol
SMILESCCOc1c([N+](=O)[O-])cc([N+](=O)[O-])c(O)c1OCC
InChIInChI=1S/C10H12N2O7/c1-3-18-9-7(12(16)17)5-6(11(14)15)8(13)10(9)19-4-2/h5,13H,3-4H2,1-2H3
InChIKeyDUCFCWXZAKFCRQ-UHFFFAOYSA-N
MW272.21 g/mol
LogP2.01
Rot. Bonds6

About 2,3-diethoxy-4,6-dinitrophenol

2,3-diethoxy-4,6-dinitrophenol (PubChem CID 156633172) has the molecular formula C10H12N2O7 and a molecular weight of 272.21 g/mol. Its IUPAC name is 2,3-diethoxy-4,6-dinitrophenol.

Molecular Properties

Compound Name2,3-diethoxy-4,6-dinitrophenol
PubChem CID156633172
Molecular FormulaC10H12N2O7
Molecular Weight272.21 g/mol
Exact Mass272.06
IUPAC Name2,3-diethoxy-4,6-dinitrophenol
SMILESCCOc1c([N+](=O)[O-])cc([N+](=O)[O-])c(O)c1OCC
InChIInChI=1S/C10H12N2O7/c1-3-18-9-7(12(16)17)5-6(11(14)15)8(13)10(9)19-4-2/h5,13H,3-4H2,1-2H3
InChIKeyDUCFCWXZAKFCRQ-UHFFFAOYSA-N
XLogP2.01
TPSA124.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,3-diethoxy-4,6-dinitrophenol 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

2-ethoxy-4,6-dinitrobenzene-1,3-diol
CID 139703790
2-ethoxy-1,5-difluoro-3-nitrobenzene
CID 121228440
6,7-diethoxy-3-methyl-5-nitro-1-benzofuran-2-carboxylate
CID 6935730
5-ethoxy-2-hydroxy-3-nitrobenzoic acid
CID 91673204
1-(2-ethoxy-5-methyl-3-nitrophenyl)ethanone
CID 96828054
1-(4-ethoxy-3-fluoro-5-nitrophenyl)ethanone
CID 171013298
5-bromo-1-chloro-2-ethoxy-3-nitrobenzene
CID 70699765
1-(4-ethoxy-3-methoxy-5-nitrophenyl)propan-1-one
CID 112720297
4-ethoxy-5-nitrobenzene-1,3-dicarbaldehyde
CID 171003716
2-ethoxy-3,5-dinitrobenzonitrile
CID 4527967
2-ethoxy-4-[(Z)-hydroxyiminomethyl]-6-nitrophenol
CID 136911315
1-(2-ethoxy-5-methyl-3-nitrophenyl)ethanamine
CID 3933377

Frequently Asked Questions

What is the IUPAC name of 2,3-diethoxy-4,6-dinitrophenol?
The IUPAC name of 2,3-diethoxy-4,6-dinitrophenol (CID 156633172) is 2,3-diethoxy-4,6-dinitrophenol.
What is the SMILES notation for 2,3-diethoxy-4,6-dinitrophenol?
The canonical SMILES for 2,3-diethoxy-4,6-dinitrophenol is CCOc1c([N+](=O)[O-])cc([N+](=O)[O-])c(O)c1OCC.
What is the InChIKey of 2,3-diethoxy-4,6-dinitrophenol?
The InChIKey is DUCFCWXZAKFCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O7/c1-3-18-9-7(12(16)17)5-6(11(14)15)8(13)10(9)19-4-2/h5,13H,3-4H2,1-2H3.
What are the key properties of 2,3-diethoxy-4,6-dinitrophenol?
2,3-diethoxy-4,6-dinitrophenol has a molecular weight of 272.21 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethoxy-4,6-dinitrophenol is sourced from PubChem (CID 156633172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).