2-chloro-1-[(4-chlorophenyl)methoxy]-4-nitrobenzene

C13H9Cl2NO3 — CID 66921922

IUPAC2-chloro-1-[(4-chlorophenyl)methoxy]-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C13H9Cl2NO3/c14-10-3-1-9(2-4-10)8-19-13-6-5-11(16(17)18)7-12(13)15/h1-7H,8H2
InChIKeyLCISRKAEGPDBTR-UHFFFAOYSA-N
MW298.12 g/mol
LogP4.48
Rot. Bonds4

About 2-chloro-1-[(4-chlorophenyl)methoxy]-4-nitrobenzene

2-chloro-1-[(4-chlorophenyl)methoxy]-4-nitrobenzene (PubChem CID 66921922) has the molecular formula C13H9Cl2NO3 and a molecular weight of 298.12 g/mol. Its IUPAC name is 2-chloro-1-[(4-chlorophenyl)methoxy]-4-nitrobenzene.

Molecular Properties

Compound Name2-chloro-1-[(4-chlorophenyl)methoxy]-4-nitrobenzene
PubChem CID66921922
Molecular FormulaC13H9Cl2NO3
Molecular Weight298.12 g/mol
Exact Mass297.00
IUPAC Name2-chloro-1-[(4-chlorophenyl)methoxy]-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C13H9Cl2NO3/c14-10-3-1-9(2-4-10)8-19-13-6-5-11(16(17)18)7-12(13)15/h1-7H,8H2
InChIKeyLCISRKAEGPDBTR-UHFFFAOYSA-N
XLogP4.48
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.12
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-[(4-chlorophenyl)methoxy]-5-nitroaniline
CID 65127132
2-[(4-chlorophenyl)methoxy]-4-nitroaniline
CID 15181471
1-bromo-2-[(4-chlorophenyl)methoxy]-4-nitrobenzene
CID 25235957
1-[2-[(4-chlorophenyl)methoxy]-5-nitrophenyl]-N-methylmethanamine
CID 60888633
6-[(2-chloro-4-nitrophenoxy)methyl]-2,3-dihydro-1,4-benzodioxine
CID 60588817
methyl 2-[(4-chlorophenyl)methoxy]-5-nitrobenzoate
CID 91681746
5-[(2-chloro-4-nitrophenoxy)methyl]-1,3-benzodioxole
CID 7509245
N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-[(2-chloro-4-nitrophenoxy)methyl]benzamide
CID 19407311
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-N'-(2-chloro-4-nitrophenyl)ethane-1,2-diamine
CID 17057015
(4-nitrophenyl)methyl 2-(2,4-dichlorophenoxy)acetate
CID 1310079
2-[(3-chloro-4-fluorophenyl)methoxy]-5-nitrobenzaldehyde
CID 102974826
N-[[3-bromo-4-[(4-nitrophenyl)methoxy]phenyl]methyl]-4-chloroaniline
CID 126184947

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[(4-chlorophenyl)methoxy]-4-nitrobenzene?
The IUPAC name of 2-chloro-1-[(4-chlorophenyl)methoxy]-4-nitrobenzene (CID 66921922) is 2-chloro-1-[(4-chlorophenyl)methoxy]-4-nitrobenzene.
What is the SMILES notation for 2-chloro-1-[(4-chlorophenyl)methoxy]-4-nitrobenzene?
The canonical SMILES for 2-chloro-1-[(4-chlorophenyl)methoxy]-4-nitrobenzene is O=[N+]([O-])c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1.
What is the InChIKey of 2-chloro-1-[(4-chlorophenyl)methoxy]-4-nitrobenzene?
The InChIKey is LCISRKAEGPDBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO3/c14-10-3-1-9(2-4-10)8-19-13-6-5-11(16(17)18)7-12(13)15/h1-7H,8H2.
What are the key properties of 2-chloro-1-[(4-chlorophenyl)methoxy]-4-nitrobenzene?
2-chloro-1-[(4-chlorophenyl)methoxy]-4-nitrobenzene has a molecular weight of 298.12 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[(4-chlorophenyl)methoxy]-4-nitrobenzene is sourced from PubChem (CID 66921922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).