4-(5-fluoro-4-iodo-2-nitrophenoxy)phenol

C12H7FINO4 — CID 66100481

IUPAC4-(5-fluoro-4-iodo-2-nitrophenoxy)phenol
SMILESO=[N+]([O-])c1cc(I)c(F)cc1Oc1ccc(O)cc1
InChIInChI=1S/C12H7FINO4/c13-9-5-12(11(15(17)18)6-10(9)14)19-8-3-1-7(16)2-4-8/h1-6,16H
InChIKeyBWSOXUCCEDWZMM-UHFFFAOYSA-N
MW375.09 g/mol
LogP3.84
Rot. Bonds3

About 4-(5-fluoro-4-iodo-2-nitrophenoxy)phenol

4-(5-fluoro-4-iodo-2-nitrophenoxy)phenol (PubChem CID 66100481) has the molecular formula C12H7FINO4 and a molecular weight of 375.09 g/mol. Its IUPAC name is 4-(5-fluoro-4-iodo-2-nitrophenoxy)phenol.

Molecular Properties

Compound Name4-(5-fluoro-4-iodo-2-nitrophenoxy)phenol
PubChem CID66100481
Molecular FormulaC12H7FINO4
Molecular Weight375.09 g/mol
Exact Mass374.94
IUPAC Name4-(5-fluoro-4-iodo-2-nitrophenoxy)phenol
SMILESO=[N+]([O-])c1cc(I)c(F)cc1Oc1ccc(O)cc1
InChIInChI=1S/C12H7FINO4/c13-9-5-12(11(15(17)18)6-10(9)14)19-8-3-1-7(16)2-4-8/h1-6,16H
InChIKeyBWSOXUCCEDWZMM-UHFFFAOYSA-N
XLogP3.84
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.09
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(5-fluoro-4-iodo-2-nitrophenoxy)benzoic acid
CID 66102449
[4-(4-bromo-5-fluoro-2-nitrophenoxy)phenyl]methanol
CID 79869582
O-(5-fluoro-4-iodo-2-nitrophenyl)hydroxylamine
CID 79427039
1-(2-bromo-4-fluorophenoxy)-5-fluoro-4-iodo-2-nitrobenzene
CID 66086759
4-(4-bromo-5-fluoro-2-nitrophenoxy)aniline
CID 66110501
1-[4-(4-bromo-5-fluoro-2-nitrophenoxy)phenyl]ethanone
CID 103483323
4-[4-(4-hydroxy-2-nitrophenoxy)-3-nitrophenoxy]-3-nitrophenol
CID 91275856
4-(2,3-difluoro-6-nitrophenoxy)phenol
CID 55086265
1-bromo-2-fluoro-5-(4-methylphenoxy)-4-nitrobenzene
CID 118684340
4-(4-bromo-5-fluoro-2-nitrophenoxy)benzonitrile
CID 103483260
1-fluoro-5-(5-fluoro-2,4-dinitrophenoxy)-2,4-dinitrobenzene
CID 88688224
2-[4-(4-fluoro-5-methyl-2-nitrophenoxy)phenyl]ethanol
CID 107709582

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-4-iodo-2-nitrophenoxy)phenol?
The IUPAC name of 4-(5-fluoro-4-iodo-2-nitrophenoxy)phenol (CID 66100481) is 4-(5-fluoro-4-iodo-2-nitrophenoxy)phenol.
What is the SMILES notation for 4-(5-fluoro-4-iodo-2-nitrophenoxy)phenol?
The canonical SMILES for 4-(5-fluoro-4-iodo-2-nitrophenoxy)phenol is O=[N+]([O-])c1cc(I)c(F)cc1Oc1ccc(O)cc1.
What is the InChIKey of 4-(5-fluoro-4-iodo-2-nitrophenoxy)phenol?
The InChIKey is BWSOXUCCEDWZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FINO4/c13-9-5-12(11(15(17)18)6-10(9)14)19-8-3-1-7(16)2-4-8/h1-6,16H.
What are the key properties of 4-(5-fluoro-4-iodo-2-nitrophenoxy)phenol?
4-(5-fluoro-4-iodo-2-nitrophenoxy)phenol has a molecular weight of 375.09 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-4-iodo-2-nitrophenoxy)phenol is sourced from PubChem (CID 66100481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).