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

C13H9Cl2NO3 — CID 134122523

IUPAC4-chloro-1-[(2-chlorophenyl)methoxy]-2-nitrobenzene
SMILESO=[N+]([O-])c1cc(Cl)ccc1OCc1ccccc1Cl
InChIInChI=1S/C13H9Cl2NO3/c14-10-5-6-13(12(7-10)16(17)18)19-8-9-3-1-2-4-11(9)15/h1-7H,8H2
InChIKeyCRGHDIKSOZGKIC-UHFFFAOYSA-N
MW298.12 g/mol
LogP4.48
Rot. Bonds4

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

4-chloro-1-[(2-chlorophenyl)methoxy]-2-nitrobenzene (PubChem CID 134122523) has the molecular formula C13H9Cl2NO3 and a molecular weight of 298.12 g/mol. Its IUPAC name is 4-chloro-1-[(2-chlorophenyl)methoxy]-2-nitrobenzene.

Molecular Properties

Compound Name4-chloro-1-[(2-chlorophenyl)methoxy]-2-nitrobenzene
PubChem CID134122523
Molecular FormulaC13H9Cl2NO3
Molecular Weight298.12 g/mol
Exact Mass297.00
IUPAC Name4-chloro-1-[(2-chlorophenyl)methoxy]-2-nitrobenzene
SMILESO=[N+]([O-])c1cc(Cl)ccc1OCc1ccccc1Cl
InChIInChI=1S/C13H9Cl2NO3/c14-10-5-6-13(12(7-10)16(17)18)19-8-9-3-1-2-4-11(9)15/h1-7H,8H2
InChIKeyCRGHDIKSOZGKIC-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

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CID 102665829
4-(chloromethyl)-1-[(2,5-dichlorophenyl)methoxy]-2-nitrobenzene
CID 65316735
4-chloro-2-nitro-1-phenylmethoxybenzene;5-chloro-2-phenylmethoxyaniline
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2-bromo-4-chloro-1-[(2-nitrophenoxy)methyl]benzene
CID 125465496
1-[4-[(2,4-dichlorophenyl)methoxy]-3-nitrophenyl]sulfonylpyrrolidine
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1-[(2-chlorophenyl)methoxy]-3-fluoro-2-nitrobenzene
CID 62664888
4-chloro-1-[(3-fluorophenyl)methoxy]-2-nitrobenzene
CID 52891645
4-[(4-chloro-2-nitrophenoxy)methyl]-1-(2-chlorophenyl)triazole
CID 141447831
8-[(4-chloro-2-nitrophenoxy)methyl]-6-fluoroquinoline
CID 38829933
4-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene
CID 57272170
4-chloro-2-nitro-1-pent-4-ynoxybenzene
CID 115870869
1-bromo-2-[(2-chlorophenyl)methoxy]-4-nitrobenzene
CID 25235955

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(2-chlorophenyl)methoxy]-2-nitrobenzene?
The IUPAC name of 4-chloro-1-[(2-chlorophenyl)methoxy]-2-nitrobenzene (CID 134122523) is 4-chloro-1-[(2-chlorophenyl)methoxy]-2-nitrobenzene.
What is the SMILES notation for 4-chloro-1-[(2-chlorophenyl)methoxy]-2-nitrobenzene?
The canonical SMILES for 4-chloro-1-[(2-chlorophenyl)methoxy]-2-nitrobenzene is O=[N+]([O-])c1cc(Cl)ccc1OCc1ccccc1Cl.
What is the InChIKey of 4-chloro-1-[(2-chlorophenyl)methoxy]-2-nitrobenzene?
The InChIKey is CRGHDIKSOZGKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO3/c14-10-5-6-13(12(7-10)16(17)18)19-8-9-3-1-2-4-11(9)15/h1-7H,8H2.
What are the key properties of 4-chloro-1-[(2-chlorophenyl)methoxy]-2-nitrobenzene?
4-chloro-1-[(2-chlorophenyl)methoxy]-2-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 4-chloro-1-[(2-chlorophenyl)methoxy]-2-nitrobenzene is sourced from PubChem (CID 134122523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).