4-(4-chloro-2-fluorophenoxy)-2-methoxy-1-nitrobenzene

C13H9ClFNO4 — CID 131877853

IUPAC4-(4-chloro-2-fluorophenoxy)-2-methoxy-1-nitrobenzene
SMILESCOc1cc(Oc2ccc(Cl)cc2F)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H9ClFNO4/c1-19-13-7-9(3-4-11(13)16(17)18)20-12-5-2-8(14)6-10(12)15/h2-7H,1H3
InChIKeyKXMMQFNYONOSMO-UHFFFAOYSA-N
MW297.67 g/mol
LogP4.19
Rot. Bonds4

About 4-(4-chloro-2-fluorophenoxy)-2-methoxy-1-nitrobenzene

4-(4-chloro-2-fluorophenoxy)-2-methoxy-1-nitrobenzene (PubChem CID 131877853) has the molecular formula C13H9ClFNO4 and a molecular weight of 297.67 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenoxy)-2-methoxy-1-nitrobenzene.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenoxy)-2-methoxy-1-nitrobenzene
PubChem CID131877853
Molecular FormulaC13H9ClFNO4
Molecular Weight297.67 g/mol
Exact Mass297.02
IUPAC Name4-(4-chloro-2-fluorophenoxy)-2-methoxy-1-nitrobenzene
SMILESCOc1cc(Oc2ccc(Cl)cc2F)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H9ClFNO4/c1-19-13-7-9(3-4-11(13)16(17)18)20-12-5-2-8(14)6-10(12)15/h2-7H,1H3
InChIKeyKXMMQFNYONOSMO-UHFFFAOYSA-N
XLogP4.19
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.67
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2-bromo-4-fluorophenoxy)-2-methoxy-1-nitrobenzene
CID 63672086
2-bromo-4-(4-chloro-2-nitrophenoxy)-1-fluorobenzene
CID 83235030
2-[4-chloro-2-(chloromethyl)phenoxy]-4-methoxy-1-nitrobenzene
CID 102702832
1,2-dimethoxy-4-(2-nitrophenoxy)benzene
CID 11369382
[3-fluoro-4-(5-methoxy-2-nitrophenoxy)phenyl]methanamine
CID 102702881
2-methoxy-1-nitro-4-(trifluoromethoxy)benzene
CID 53417127
2-(2,2-dichloroethenoxy)-4-(2,4-dichlorophenoxy)-1-nitrobenzene
CID 71395855
4-(5-chloro-2-nitrophenoxy)-N-methylaniline
CID 115471949
4-(bromomethyl)-1-(5-chloro-2-nitrophenoxy)-2-fluorobenzene
CID 107088334
5-(2,4-dichlorophenoxy)-N,N-dimethyl-2-nitroaniline
CID 13194931
2-(5-chloro-2-nitrophenoxy)-4-methoxybenzoic acid
CID 14489875
4-chloro-3-(3-methoxy-4-nitrophenoxy)-5-(trifluoromethyl)-1H-pyrazole
CID 22159816

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenoxy)-2-methoxy-1-nitrobenzene?
The IUPAC name of 4-(4-chloro-2-fluorophenoxy)-2-methoxy-1-nitrobenzene (CID 131877853) is 4-(4-chloro-2-fluorophenoxy)-2-methoxy-1-nitrobenzene.
What is the SMILES notation for 4-(4-chloro-2-fluorophenoxy)-2-methoxy-1-nitrobenzene?
The canonical SMILES for 4-(4-chloro-2-fluorophenoxy)-2-methoxy-1-nitrobenzene is COc1cc(Oc2ccc(Cl)cc2F)ccc1[N+](=O)[O-].
What is the InChIKey of 4-(4-chloro-2-fluorophenoxy)-2-methoxy-1-nitrobenzene?
The InChIKey is KXMMQFNYONOSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO4/c1-19-13-7-9(3-4-11(13)16(17)18)20-12-5-2-8(14)6-10(12)15/h2-7H,1H3.
What are the key properties of 4-(4-chloro-2-fluorophenoxy)-2-methoxy-1-nitrobenzene?
4-(4-chloro-2-fluorophenoxy)-2-methoxy-1-nitrobenzene has a molecular weight of 297.67 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluorophenoxy)-2-methoxy-1-nitrobenzene is sourced from PubChem (CID 131877853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).