2,4-dichloro-3-methoxy-6-nitrophenol;5-methoxy-2-nitrophenol

C14H12Cl2N2O8 — CID 158270733

IUPAC2,4-dichloro-3-methoxy-6-nitrophenol;5-methoxy-2-nitrophenol
SMILESCOc1c(Cl)cc([N+](=O)[O-])c(O)c1Cl.COc1ccc([N+](=O)[O-])c(O)c1
InChIInChI=1S/C7H5Cl2NO4.C7H7NO4/c1-14-7-3(8)2-4(10(12)13)6(11)5(7)9;1-12-5-2-3-6(8(10)11)7(9)4-5/h2,11H,1H3;2-4,9H,1H3
InChIKeyGIZNPICYWNNVOC-UHFFFAOYSA-N
MW407.16 g/mol
LogP3.92
Rot. Bonds4

About 2,4-dichloro-3-methoxy-6-nitrophenol;5-methoxy-2-nitrophenol

2,4-dichloro-3-methoxy-6-nitrophenol;5-methoxy-2-nitrophenol (PubChem CID 158270733) has the molecular formula C14H12Cl2N2O8 and a molecular weight of 407.16 g/mol. Its IUPAC name is 2,4-dichloro-3-methoxy-6-nitrophenol;5-methoxy-2-nitrophenol.

Molecular Properties

Compound Name2,4-dichloro-3-methoxy-6-nitrophenol;5-methoxy-2-nitrophenol
PubChem CID158270733
Molecular FormulaC14H12Cl2N2O8
Molecular Weight407.16 g/mol
Exact Mass406.00
IUPAC Name2,4-dichloro-3-methoxy-6-nitrophenol;5-methoxy-2-nitrophenol
SMILESCOc1c(Cl)cc([N+](=O)[O-])c(O)c1Cl.COc1ccc([N+](=O)[O-])c(O)c1
InChIInChI=1S/C7H5Cl2NO4.C7H7NO4/c1-14-7-3(8)2-4(10(12)13)6(11)5(7)9;1-12-5-2-3-6(8(10)11)7(9)4-5/h2,11H,1H3;2-4,9H,1H3
InChIKeyGIZNPICYWNNVOC-UHFFFAOYSA-N
XLogP3.92
TPSA145.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.16
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

ethane;5-methoxy-2-nitrophenol
CID 143133372
2,4-dibromo-3-methoxy-6-nitrophenol;5-methoxy-2-nitrophenol
CID 159971508
4-methoxy-2-(5-methoxy-2-nitrophenyl)-1-nitrobenzene
CID 12582438
3-chloro-2,5-dimethoxyphenol
CID 84661730
4-methoxy-1-nitro-2-prop-1-en-2-ylbenzene
CID 53341761
ethane;4-methoxy-2-methyl-1-nitrobenzene
CID 142240098
sodium 4-methoxy-2-nitrobenzenethiol
CID 23676641
2-chloro-3-methoxy-1-methyl-4-nitrobenzene
CID 119002827
(E)-3-(3,5-dichloro-2-methoxyphenyl)-N-(4-methoxy-2-nitrophenyl)prop-2-enamide
CID 6147507
3-methoxy-4-(5-methoxy-2-nitrophenoxy)phenol
CID 163522418
4-chloro-2,3-dimethyl-6-nitrophenol
CID 23238949
5-bromo-3-chloro-2-methoxy-4-methylaniline;4-bromo-2-chloro-3-methyl-6-nitrophenol
CID 167655340

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-methoxy-6-nitrophenol;5-methoxy-2-nitrophenol?
The IUPAC name of 2,4-dichloro-3-methoxy-6-nitrophenol;5-methoxy-2-nitrophenol (CID 158270733) is 2,4-dichloro-3-methoxy-6-nitrophenol;5-methoxy-2-nitrophenol.
What is the SMILES notation for 2,4-dichloro-3-methoxy-6-nitrophenol;5-methoxy-2-nitrophenol?
The canonical SMILES for 2,4-dichloro-3-methoxy-6-nitrophenol;5-methoxy-2-nitrophenol is COc1c(Cl)cc([N+](=O)[O-])c(O)c1Cl.COc1ccc([N+](=O)[O-])c(O)c1.
What is the InChIKey of 2,4-dichloro-3-methoxy-6-nitrophenol;5-methoxy-2-nitrophenol?
The InChIKey is GIZNPICYWNNVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2NO4.C7H7NO4/c1-14-7-3(8)2-4(10(12)13)6(11)5(7)9;1-12-5-2-3-6(8(10)11)7(9)4-5/h2,11H,1H3;2-4,9H,1H3.
What are the key properties of 2,4-dichloro-3-methoxy-6-nitrophenol;5-methoxy-2-nitrophenol?
2,4-dichloro-3-methoxy-6-nitrophenol;5-methoxy-2-nitrophenol has a molecular weight of 407.16 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-methoxy-6-nitrophenol;5-methoxy-2-nitrophenol is sourced from PubChem (CID 158270733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).