2-(2,2-dichloroethenoxy)-4-(2,4-dichlorophenoxy)-1-nitrobenzene

C14H7Cl4NO4 — CID 71395855

IUPAC2-(2,2-dichloroethenoxy)-4-(2,4-dichlorophenoxy)-1-nitrobenzene
SMILESO=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2Cl)cc1OC=C(Cl)Cl
InChIInChI=1S/C14H7Cl4NO4/c15-8-1-4-12(10(16)5-8)23-9-2-3-11(19(20)21)13(6-9)22-7-14(17)18/h1-7H
InChIKeyOEJHNINJGZXOGC-UHFFFAOYSA-N
MW395.03 g/mol
LogP6.35
Rot. Bonds5

About 2-(2,2-dichloroethenoxy)-4-(2,4-dichlorophenoxy)-1-nitrobenzene

2-(2,2-dichloroethenoxy)-4-(2,4-dichlorophenoxy)-1-nitrobenzene (PubChem CID 71395855) has the molecular formula C14H7Cl4NO4 and a molecular weight of 395.03 g/mol. Its IUPAC name is 2-(2,2-dichloroethenoxy)-4-(2,4-dichlorophenoxy)-1-nitrobenzene.

Molecular Properties

Compound Name2-(2,2-dichloroethenoxy)-4-(2,4-dichlorophenoxy)-1-nitrobenzene
PubChem CID71395855
Molecular FormulaC14H7Cl4NO4
Molecular Weight395.03 g/mol
Exact Mass392.91
IUPAC Name2-(2,2-dichloroethenoxy)-4-(2,4-dichlorophenoxy)-1-nitrobenzene
SMILESO=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2Cl)cc1OC=C(Cl)Cl
InChIInChI=1S/C14H7Cl4NO4/c15-8-1-4-12(10(16)5-8)23-9-2-3-11(19(20)21)13(6-9)22-7-14(17)18/h1-7H
InChIKeyOEJHNINJGZXOGC-UHFFFAOYSA-N
XLogP6.35
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.03
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-chloro-5-(2,4-dichlorophenoxy)-2-nitroaniline
CID 174878979
2-[5-(2,4-dichlorophenoxy)-2-nitrophenoxy]-3-sulfanylidenepropanamide
CID 88666214
5-(2,4-dichlorophenoxy)-N,N-dimethyl-2-nitroaniline
CID 13194931
2-[[5-(2,4-dichlorophenoxy)-2-nitrophenoxy]methyl]oxirane
CID 71387086
ethyl 2-[4-[5-(2,4-dichlorophenoxy)-2-nitrophenoxy]phenoxy]acetate
CID 57105797
4-(2,4-dichlorophenoxy)-1-nitro-2-prop-2-enylsulfonylbenzene
CID 134107424
1-chloro-2,3-bis(2,4-dichlorophenoxy)-4-nitrobenzene
CID 12569011
4-(4-chloro-2-fluorophenoxy)-2-methoxy-1-nitrobenzene
CID 131877853
2-[5-(2,4-dichlorophenoxy)-2-nitrophenoxy]-N-(2-methoxyethyl)propanamide
CID 70560532
3-(2,4-dichlorophenoxy)-4-nitro-1-oxidopyridin-1-ium
CID 11771054
[3-chloro-4-(5-chloro-2-nitrophenoxy)phenyl]methanol
CID 81151308
octyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate
CID 21486095

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dichloroethenoxy)-4-(2,4-dichlorophenoxy)-1-nitrobenzene?
The IUPAC name of 2-(2,2-dichloroethenoxy)-4-(2,4-dichlorophenoxy)-1-nitrobenzene (CID 71395855) is 2-(2,2-dichloroethenoxy)-4-(2,4-dichlorophenoxy)-1-nitrobenzene.
What is the SMILES notation for 2-(2,2-dichloroethenoxy)-4-(2,4-dichlorophenoxy)-1-nitrobenzene?
The canonical SMILES for 2-(2,2-dichloroethenoxy)-4-(2,4-dichlorophenoxy)-1-nitrobenzene is O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2Cl)cc1OC=C(Cl)Cl.
What is the InChIKey of 2-(2,2-dichloroethenoxy)-4-(2,4-dichlorophenoxy)-1-nitrobenzene?
The InChIKey is OEJHNINJGZXOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl4NO4/c15-8-1-4-12(10(16)5-8)23-9-2-3-11(19(20)21)13(6-9)22-7-14(17)18/h1-7H.
What are the key properties of 2-(2,2-dichloroethenoxy)-4-(2,4-dichlorophenoxy)-1-nitrobenzene?
2-(2,2-dichloroethenoxy)-4-(2,4-dichlorophenoxy)-1-nitrobenzene has a molecular weight of 395.03 g/mol, XLogP of 6.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dichloroethenoxy)-4-(2,4-dichlorophenoxy)-1-nitrobenzene is sourced from PubChem (CID 71395855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).