4-chloro-1-[(3-fluorophenyl)methoxy]-2-nitrobenzene

C13H9ClFNO3 — CID 52891645

IUPAC4-chloro-1-[(3-fluorophenyl)methoxy]-2-nitrobenzene
SMILESO=[N+]([O-])c1cc(Cl)ccc1OCc1cccc(F)c1
InChIInChI=1S/C13H9ClFNO3/c14-10-4-5-13(12(7-10)16(17)18)19-8-9-2-1-3-11(15)6-9/h1-7H,8H2
InChIKeyNWABZXWXFYUFBC-UHFFFAOYSA-N
MW281.67 g/mol
LogP3.97
Rot. Bonds4

About 4-chloro-1-[(3-fluorophenyl)methoxy]-2-nitrobenzene

4-chloro-1-[(3-fluorophenyl)methoxy]-2-nitrobenzene (PubChem CID 52891645) has the molecular formula C13H9ClFNO3 and a molecular weight of 281.67 g/mol. Its IUPAC name is 4-chloro-1-[(3-fluorophenyl)methoxy]-2-nitrobenzene.

Molecular Properties

Compound Name4-chloro-1-[(3-fluorophenyl)methoxy]-2-nitrobenzene
PubChem CID52891645
Molecular FormulaC13H9ClFNO3
Molecular Weight281.67 g/mol
Exact Mass281.03
IUPAC Name4-chloro-1-[(3-fluorophenyl)methoxy]-2-nitrobenzene
SMILESO=[N+]([O-])c1cc(Cl)ccc1OCc1cccc(F)c1
InChIInChI=1S/C13H9ClFNO3/c14-10-4-5-13(12(7-10)16(17)18)19-8-9-2-1-3-11(15)6-9/h1-7H,8H2
InChIKeyNWABZXWXFYUFBC-UHFFFAOYSA-N
XLogP3.97
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 53.97
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

4-fluoro-2-[(3-fluorophenyl)methoxy]-1-nitrobenzene
CID 78767325
2-[4-[(3-fluorophenyl)methoxy]-3-nitrophenyl]acetonitrile
CID 82152196
4-chloro-2-nitro-1-phenylmethoxybenzene;5-chloro-2-phenylmethoxyaniline
CID 157392009
1,4-dichloro-2-[(3-fluorophenyl)methoxy]benzene
CID 71651487
2-chloro-4-[[4-(chloromethyl)-2-nitrophenoxy]methyl]-1-fluorobenzene
CID 103038450
1-[4-[(3-chlorophenyl)methoxy]-3-nitrophenyl]-N-methylmethanamine
CID 60883684
4-chloro-1-[(2-chlorophenyl)methoxy]-2-nitrobenzene
CID 134122523
2-[4-[(4-chloro-2-nitrophenoxy)methyl]phenyl]acetonitrile
CID 19050150
1-chloro-4-[[4-(chloromethyl)-2-nitrophenoxy]methyl]-2-fluorobenzene
CID 107882569
4-[(4-chloro-2-nitrophenoxy)methyl]pyridine-2-carbonitrile
CID 63884238
8-[(4-chloro-2-nitrophenoxy)methyl]-6-fluoroquinoline
CID 38829933
4-bromo-1-[(3-bromophenyl)methoxy]-2-nitrobenzene
CID 65431310

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(3-fluorophenyl)methoxy]-2-nitrobenzene?
The IUPAC name of 4-chloro-1-[(3-fluorophenyl)methoxy]-2-nitrobenzene (CID 52891645) is 4-chloro-1-[(3-fluorophenyl)methoxy]-2-nitrobenzene.
What is the SMILES notation for 4-chloro-1-[(3-fluorophenyl)methoxy]-2-nitrobenzene?
The canonical SMILES for 4-chloro-1-[(3-fluorophenyl)methoxy]-2-nitrobenzene is O=[N+]([O-])c1cc(Cl)ccc1OCc1cccc(F)c1.
What is the InChIKey of 4-chloro-1-[(3-fluorophenyl)methoxy]-2-nitrobenzene?
The InChIKey is NWABZXWXFYUFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO3/c14-10-4-5-13(12(7-10)16(17)18)19-8-9-2-1-3-11(15)6-9/h1-7H,8H2.
What are the key properties of 4-chloro-1-[(3-fluorophenyl)methoxy]-2-nitrobenzene?
4-chloro-1-[(3-fluorophenyl)methoxy]-2-nitrobenzene has a molecular weight of 281.67 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(3-fluorophenyl)methoxy]-2-nitrobenzene is sourced from PubChem (CID 52891645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).