[2-(4-bromo-5-fluoro-2-nitrophenoxy)-5-chlorophenyl]methanol

C13H8BrClFNO4 — CID 103483384

IUPAC[2-(4-bromo-5-fluoro-2-nitrophenoxy)-5-chlorophenyl]methanol
SMILESO=[N+]([O-])c1cc(Br)c(F)cc1Oc1ccc(Cl)cc1CO
InChIInChI=1S/C13H8BrClFNO4/c14-9-4-11(17(19)20)13(5-10(9)16)21-12-2-1-8(15)3-7(12)6-18/h1-5,18H,6H2
InChIKeyANZFHXVOIQWLHG-UHFFFAOYSA-N
MW376.57 g/mol
LogP4.43
Rot. Bonds4

About [2-(4-bromo-5-fluoro-2-nitrophenoxy)-5-chlorophenyl]methanol

[2-(4-bromo-5-fluoro-2-nitrophenoxy)-5-chlorophenyl]methanol (PubChem CID 103483384) has the molecular formula C13H8BrClFNO4 and a molecular weight of 376.57 g/mol. Its IUPAC name is [2-(4-bromo-5-fluoro-2-nitrophenoxy)-5-chlorophenyl]methanol.

Molecular Properties

Compound Name[2-(4-bromo-5-fluoro-2-nitrophenoxy)-5-chlorophenyl]methanol
PubChem CID103483384
Molecular FormulaC13H8BrClFNO4
Molecular Weight376.57 g/mol
Exact Mass374.93
IUPAC Name[2-(4-bromo-5-fluoro-2-nitrophenoxy)-5-chlorophenyl]methanol
SMILESO=[N+]([O-])c1cc(Br)c(F)cc1Oc1ccc(Cl)cc1CO
InChIInChI=1S/C13H8BrClFNO4/c14-9-4-11(17(19)20)13(5-10(9)16)21-12-2-1-8(15)3-7(12)6-18/h1-5,18H,6H2
InChIKeyANZFHXVOIQWLHG-UHFFFAOYSA-N
XLogP4.43
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.57
LogP ≤ 54.43
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

[5-chloro-2-(4-methoxy-2-nitrophenoxy)phenyl]methanol
CID 114846138
[4-(4-bromo-5-fluoro-2-nitrophenoxy)phenyl]methanol
CID 79869582
[2-(2-bromo-4-fluorophenoxy)-5-chlorophenyl]methanol
CID 114845999
[3-(4-bromo-5-fluoro-2-nitrophenoxy)phenyl]methanol
CID 79869246
[2-(5-chloro-2-nitrophenoxy)phenyl]methanol
CID 62304673
[2-(2,5-difluoro-4-nitrophenoxy)-5-fluorophenyl]methanol
CID 63598315
2-bromo-4-(4-chloro-2-nitrophenoxy)-1-fluorobenzene
CID 83235030
[5-chloro-2-(2,5-difluoro-4-nitrophenoxy)phenyl]methanamine
CID 114857292
[5-chloro-2-(4-fluoro-2-nitrophenoxy)phenyl]methanamine
CID 114857139
2-(4-bromo-5-fluoro-2-nitrophenoxy)ethanol
CID 103483928
4-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene
CID 57272170
1-[2-(4-bromo-5-fluoro-2-nitrophenoxy)phenyl]ethanone
CID 103483326

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-5-fluoro-2-nitrophenoxy)-5-chlorophenyl]methanol?
The IUPAC name of [2-(4-bromo-5-fluoro-2-nitrophenoxy)-5-chlorophenyl]methanol (CID 103483384) is [2-(4-bromo-5-fluoro-2-nitrophenoxy)-5-chlorophenyl]methanol.
What is the SMILES notation for [2-(4-bromo-5-fluoro-2-nitrophenoxy)-5-chlorophenyl]methanol?
The canonical SMILES for [2-(4-bromo-5-fluoro-2-nitrophenoxy)-5-chlorophenyl]methanol is O=[N+]([O-])c1cc(Br)c(F)cc1Oc1ccc(Cl)cc1CO.
What is the InChIKey of [2-(4-bromo-5-fluoro-2-nitrophenoxy)-5-chlorophenyl]methanol?
The InChIKey is ANZFHXVOIQWLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClFNO4/c14-9-4-11(17(19)20)13(5-10(9)16)21-12-2-1-8(15)3-7(12)6-18/h1-5,18H,6H2.
What are the key properties of [2-(4-bromo-5-fluoro-2-nitrophenoxy)-5-chlorophenyl]methanol?
[2-(4-bromo-5-fluoro-2-nitrophenoxy)-5-chlorophenyl]methanol has a molecular weight of 376.57 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-5-fluoro-2-nitrophenoxy)-5-chlorophenyl]methanol is sourced from PubChem (CID 103483384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).