[3-[(2,6-dichlorophenyl)methoxy]-4-hydroxy-5-nitrophenyl]-(2-nitrophenyl)methanone

C20H12Cl2N2O7 — CID 10790249

IUPAC[3-[(2,6-dichlorophenyl)methoxy]-4-hydroxy-5-nitrophenyl]-(2-nitrophenyl)methanone
SMILESO=C(c1cc(OCc2c(Cl)cccc2Cl)c(O)c([N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C20H12Cl2N2O7/c21-14-5-3-6-15(22)13(14)10-31-18-9-11(8-17(20(18)26)24(29)30)19(25)12-4-1-2-7-16(12)23(27)28/h1-9,26H,10H2
InChIKeyQNGYVOSZQDUETJ-UHFFFAOYSA-N
MW463.23 g/mol
LogP5.33
Rot. Bonds7

About [3-[(2,6-dichlorophenyl)methoxy]-4-hydroxy-5-nitrophenyl]-(2-nitrophenyl)methanone

[3-[(2,6-dichlorophenyl)methoxy]-4-hydroxy-5-nitrophenyl]-(2-nitrophenyl)methanone (PubChem CID 10790249) has the molecular formula C20H12Cl2N2O7 and a molecular weight of 463.23 g/mol. Its IUPAC name is [3-[(2,6-dichlorophenyl)methoxy]-4-hydroxy-5-nitrophenyl]-(2-nitrophenyl)methanone.

Molecular Properties

Compound Name[3-[(2,6-dichlorophenyl)methoxy]-4-hydroxy-5-nitrophenyl]-(2-nitrophenyl)methanone
PubChem CID10790249
Molecular FormulaC20H12Cl2N2O7
Molecular Weight463.23 g/mol
Exact Mass462.00
IUPAC Name[3-[(2,6-dichlorophenyl)methoxy]-4-hydroxy-5-nitrophenyl]-(2-nitrophenyl)methanone
SMILESO=C(c1cc(OCc2c(Cl)cccc2Cl)c(O)c([N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C20H12Cl2N2O7/c21-14-5-3-6-15(22)13(14)10-31-18-9-11(8-17(20(18)26)24(29)30)19(25)12-4-1-2-7-16(12)23(27)28/h1-9,26H,10H2
InChIKeyQNGYVOSZQDUETJ-UHFFFAOYSA-N
XLogP5.33
TPSA132.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.23
LogP ≤ 55.33
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 [3-[(2,6-dichlorophenyl)methoxy]-4-hydroxy-5-nitrophenyl]-(2-nitrophenyl)methanone 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-hydroxy-3-(methoxymethoxy)-5-nitrophenyl]-(2-nitrophenyl)methanone
CID 10593813
(2-chlorophenyl)-(4-hydroxy-3-methoxy-5-nitrophenyl)methanone;(3-nitrophenyl)-phenylmethanone
CID 159253921
(4-hydroxy-3-methoxy-5-nitrophenyl)-(2-methylphenyl)methanone
CID 21458993
2-(4-hydroxy-3-methoxy-5-nitrobenzoyl)benzonitrile
CID 21459123
ethane;(2-nitrophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 11024465
(2,6-dichlorophenyl)methyl 4-amino-3-nitrobenzoate
CID 4651314
3-[(2-chloro-6-nitrophenyl)methoxy]thiophene-2-carboxylic acid
CID 63746936
3-chloro-4-[(2-chloro-6-nitrophenyl)methoxy]benzaldehyde
CID 63746153
1-chloro-3-nitro-2-(phenoxymethyl)benzene
CID 64765077
4-chloro-2-[(2-chloro-6-nitrophenyl)methoxy]benzonitrile
CID 114322777
(3,4-dimethoxy-5-nitrophenyl)-(2-fluorophenyl)methanone;(2-fluorophenyl)-(4-hydroxy-3-methoxy-5-nitrophenyl)methanone
CID 158356325
2-chloro-4-(2-nitrobenzoyl)benzamide
CID 102462059

Frequently Asked Questions

What is the IUPAC name of [3-[(2,6-dichlorophenyl)methoxy]-4-hydroxy-5-nitrophenyl]-(2-nitrophenyl)methanone?
The IUPAC name of [3-[(2,6-dichlorophenyl)methoxy]-4-hydroxy-5-nitrophenyl]-(2-nitrophenyl)methanone (CID 10790249) is [3-[(2,6-dichlorophenyl)methoxy]-4-hydroxy-5-nitrophenyl]-(2-nitrophenyl)methanone.
What is the SMILES notation for [3-[(2,6-dichlorophenyl)methoxy]-4-hydroxy-5-nitrophenyl]-(2-nitrophenyl)methanone?
The canonical SMILES for [3-[(2,6-dichlorophenyl)methoxy]-4-hydroxy-5-nitrophenyl]-(2-nitrophenyl)methanone is O=C(c1cc(OCc2c(Cl)cccc2Cl)c(O)c([N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of [3-[(2,6-dichlorophenyl)methoxy]-4-hydroxy-5-nitrophenyl]-(2-nitrophenyl)methanone?
The InChIKey is QNGYVOSZQDUETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2N2O7/c21-14-5-3-6-15(22)13(14)10-31-18-9-11(8-17(20(18)26)24(29)30)19(25)12-4-1-2-7-16(12)23(27)28/h1-9,26H,10H2.
What are the key properties of [3-[(2,6-dichlorophenyl)methoxy]-4-hydroxy-5-nitrophenyl]-(2-nitrophenyl)methanone?
[3-[(2,6-dichlorophenyl)methoxy]-4-hydroxy-5-nitrophenyl]-(2-nitrophenyl)methanone has a molecular weight of 463.23 g/mol, XLogP of 5.33, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,6-dichlorophenyl)methoxy]-4-hydroxy-5-nitrophenyl]-(2-nitrophenyl)methanone is sourced from PubChem (CID 10790249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).