[2-(2,6-dibromo-4-nitrophenoxy)-5-fluorophenyl]methanol

C13H8Br2FNO4 — CID 62097810

IUPAC[2-(2,6-dibromo-4-nitrophenoxy)-5-fluorophenyl]methanol
SMILESO=[N+]([O-])c1cc(Br)c(Oc2ccc(F)cc2CO)c(Br)c1
InChIInChI=1S/C13H8Br2FNO4/c14-10-4-9(17(19)20)5-11(15)13(10)21-12-2-1-8(16)3-7(12)6-18/h1-5,18H,6H2
InChIKeyNZIFNYZLYFMNBS-UHFFFAOYSA-N
MW421.02 g/mol
LogP4.54
Rot. Bonds4

About [2-(2,6-dibromo-4-nitrophenoxy)-5-fluorophenyl]methanol

[2-(2,6-dibromo-4-nitrophenoxy)-5-fluorophenyl]methanol (PubChem CID 62097810) has the molecular formula C13H8Br2FNO4 and a molecular weight of 421.02 g/mol. Its IUPAC name is [2-(2,6-dibromo-4-nitrophenoxy)-5-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-(2,6-dibromo-4-nitrophenoxy)-5-fluorophenyl]methanol
PubChem CID62097810
Molecular FormulaC13H8Br2FNO4
Molecular Weight421.02 g/mol
Exact Mass418.88
IUPAC Name[2-(2,6-dibromo-4-nitrophenoxy)-5-fluorophenyl]methanol
SMILESO=[N+]([O-])c1cc(Br)c(Oc2ccc(F)cc2CO)c(Br)c1
InChIInChI=1S/C13H8Br2FNO4/c14-10-4-9(17(19)20)5-11(15)13(10)21-12-2-1-8(16)3-7(12)6-18/h1-5,18H,6H2
InChIKeyNZIFNYZLYFMNBS-UHFFFAOYSA-N
XLogP4.54
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.02
LogP ≤ 54.54
H-Bond Donors ≤ 51
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

1,3-dibromo-2-[2-(bromomethyl)-4-fluorophenoxy]-5-nitrobenzene
CID 107088275
[2-(2-bromo-5-nitrophenoxy)-5-fluorophenyl]methanol
CID 103010830
[2-(2-chloro-4-nitrophenoxy)-5-fluorophenyl]methanol
CID 61030555
[2-(2-bromo-4-fluorophenoxy)-5-fluorophenyl]methanol
CID 43313412
1,3-dichloro-2-[2-(chloromethyl)-4-fluorophenoxy]-5-nitrobenzene
CID 63565898
[2-(2,5-difluoro-4-nitrophenoxy)-5-fluorophenyl]methanol
CID 63598315
[2-(2-fluorophenoxy)-5-nitrophenyl]methanol
CID 28964127
[5-fluoro-2-(4-methoxy-3-nitrophenoxy)phenyl]methanol
CID 103201816
[3,5-dibromo-4-(2,4-dinitrophenoxy)phenyl]methanol
CID 126116017
[5-bromo-2-(4-nitrophenoxy)phenyl]methanol
CID 103600418
2-(chloromethyl)-4-fluoro-1-(4-nitrophenoxy)benzene
CID 54915564
1,3-dibromo-2-[5-chloro-2-(chloromethyl)phenoxy]-5-nitrobenzene
CID 114847088

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dibromo-4-nitrophenoxy)-5-fluorophenyl]methanol?
The IUPAC name of [2-(2,6-dibromo-4-nitrophenoxy)-5-fluorophenyl]methanol (CID 62097810) is [2-(2,6-dibromo-4-nitrophenoxy)-5-fluorophenyl]methanol.
What is the SMILES notation for [2-(2,6-dibromo-4-nitrophenoxy)-5-fluorophenyl]methanol?
The canonical SMILES for [2-(2,6-dibromo-4-nitrophenoxy)-5-fluorophenyl]methanol is O=[N+]([O-])c1cc(Br)c(Oc2ccc(F)cc2CO)c(Br)c1.
What is the InChIKey of [2-(2,6-dibromo-4-nitrophenoxy)-5-fluorophenyl]methanol?
The InChIKey is NZIFNYZLYFMNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2FNO4/c14-10-4-9(17(19)20)5-11(15)13(10)21-12-2-1-8(16)3-7(12)6-18/h1-5,18H,6H2.
What are the key properties of [2-(2,6-dibromo-4-nitrophenoxy)-5-fluorophenyl]methanol?
[2-(2,6-dibromo-4-nitrophenoxy)-5-fluorophenyl]methanol has a molecular weight of 421.02 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dibromo-4-nitrophenoxy)-5-fluorophenyl]methanol is sourced from PubChem (CID 62097810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).