2,4-dichloro-1-(4-nitrophenoxy)benzene;8-fluoro-9H-carbazol-4-ol

C24H15Cl2FN2O4 — CID 67628373

IUPAC2,4-dichloro-1-(4-nitrophenoxy)benzene;8-fluoro-9H-carbazol-4-ol
SMILESO=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2Cl)cc1.Oc1cccc2[nH]c3c(F)cccc3c12
InChIInChI=1S/C12H7Cl2NO3.C12H8FNO/c13-8-1-6-12(11(14)7-8)18-10-4-2-9(3-5-10)15(16)17;13-8-4-1-3-7-11-9(14-12(7)8)5-2-6-10(11)15/h1-7H;1-6,14-15H
InChIKeyOKASGJDVRYKEKI-UHFFFAOYSA-N
MW485.30 g/mol
LogP7.86
Rot. Bonds3

About 2,4-dichloro-1-(4-nitrophenoxy)benzene;8-fluoro-9H-carbazol-4-ol

2,4-dichloro-1-(4-nitrophenoxy)benzene;8-fluoro-9H-carbazol-4-ol (PubChem CID 67628373) has the molecular formula C24H15Cl2FN2O4 and a molecular weight of 485.30 g/mol. Its IUPAC name is 2,4-dichloro-1-(4-nitrophenoxy)benzene;8-fluoro-9H-carbazol-4-ol.

Molecular Properties

Compound Name2,4-dichloro-1-(4-nitrophenoxy)benzene;8-fluoro-9H-carbazol-4-ol
PubChem CID67628373
Molecular FormulaC24H15Cl2FN2O4
Molecular Weight485.30 g/mol
Exact Mass484.04
IUPAC Name2,4-dichloro-1-(4-nitrophenoxy)benzene;8-fluoro-9H-carbazol-4-ol
SMILESO=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2Cl)cc1.Oc1cccc2[nH]c3c(F)cccc3c12
InChIInChI=1S/C12H7Cl2NO3.C12H8FNO/c13-8-1-6-12(11(14)7-8)18-10-4-2-9(3-5-10)15(16)17;13-8-4-1-3-7-11-9(14-12(7)8)5-2-6-10(11)15/h1-7H;1-6,14-15H
InChIKeyOKASGJDVRYKEKI-UHFFFAOYSA-N
XLogP7.86
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.30
LogP ≤ 57.86
H-Bond Donors ≤ 52
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

1-(4-nitrophenoxy)-9H-carbazole
CID 150278984
2-(4-chlorophenoxy)-5-nitrophenol
CID 150663089
2-chloro-1-(2,4-dichlorophenoxy)-4-nitrobenzene
CID 2726875
2-chloro-1-(4-methylphenoxy)-4-nitrobenzene
CID 2210667
N-[4-(2,4-dichlorophenoxy)phenyl]-3-nitrobenzamide
CID 1321722
1-(2-chloro-4-nitrophenoxy)-3-fluoro-2-nitrobenzene
CID 62665251
1-[3-chloro-4-(4-nitrophenoxy)phenyl]-2,2,2-trifluoroethanone
CID 20519127
1-chloro-3-(4-nitrophenoxy)benzene
CID 16815
3-chloro-4-(4-nitrophenoxy)benzenesulfonyl chloride
CID 12505133
7-fluoro-3-[(4-nitrophenyl)diazenyl]-1H-indol-2-ol
CID 177249161
4-chloro-2-(4-nitrophenoxy)benzonitrile
CID 63092063
1-(3-bromo-5-nitrophenoxy)-2,4-dichlorobenzene
CID 169336525

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-(4-nitrophenoxy)benzene;8-fluoro-9H-carbazol-4-ol?
The IUPAC name of 2,4-dichloro-1-(4-nitrophenoxy)benzene;8-fluoro-9H-carbazol-4-ol (CID 67628373) is 2,4-dichloro-1-(4-nitrophenoxy)benzene;8-fluoro-9H-carbazol-4-ol.
What is the SMILES notation for 2,4-dichloro-1-(4-nitrophenoxy)benzene;8-fluoro-9H-carbazol-4-ol?
The canonical SMILES for 2,4-dichloro-1-(4-nitrophenoxy)benzene;8-fluoro-9H-carbazol-4-ol is O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2Cl)cc1.Oc1cccc2[nH]c3c(F)cccc3c12.
What is the InChIKey of 2,4-dichloro-1-(4-nitrophenoxy)benzene;8-fluoro-9H-carbazol-4-ol?
The InChIKey is OKASGJDVRYKEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2NO3.C12H8FNO/c13-8-1-6-12(11(14)7-8)18-10-4-2-9(3-5-10)15(16)17;13-8-4-1-3-7-11-9(14-12(7)8)5-2-6-10(11)15/h1-7H;1-6,14-15H.
What are the key properties of 2,4-dichloro-1-(4-nitrophenoxy)benzene;8-fluoro-9H-carbazol-4-ol?
2,4-dichloro-1-(4-nitrophenoxy)benzene;8-fluoro-9H-carbazol-4-ol has a molecular weight of 485.30 g/mol, XLogP of 7.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-(4-nitrophenoxy)benzene;8-fluoro-9H-carbazol-4-ol is sourced from PubChem (CID 67628373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).