[2-(2-bromo-5-nitrophenoxy)-5-fluorophenyl]methanol

C13H9BrFNO4 — CID 103010830

IUPAC[2-(2-bromo-5-nitrophenoxy)-5-fluorophenyl]methanol
SMILESO=[N+]([O-])c1ccc(Br)c(Oc2ccc(F)cc2CO)c1
InChIInChI=1S/C13H9BrFNO4/c14-11-3-2-10(16(18)19)6-13(11)20-12-4-1-9(15)5-8(12)7-17/h1-6,17H,7H2
InChIKeyHSDRIXJQFNBGTG-UHFFFAOYSA-N
MW342.12 g/mol
LogP3.78
Rot. Bonds4

About [2-(2-bromo-5-nitrophenoxy)-5-fluorophenyl]methanol

[2-(2-bromo-5-nitrophenoxy)-5-fluorophenyl]methanol (PubChem CID 103010830) has the molecular formula C13H9BrFNO4 and a molecular weight of 342.12 g/mol. Its IUPAC name is [2-(2-bromo-5-nitrophenoxy)-5-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-(2-bromo-5-nitrophenoxy)-5-fluorophenyl]methanol
PubChem CID103010830
Molecular FormulaC13H9BrFNO4
Molecular Weight342.12 g/mol
Exact Mass340.97
IUPAC Name[2-(2-bromo-5-nitrophenoxy)-5-fluorophenyl]methanol
SMILESO=[N+]([O-])c1ccc(Br)c(Oc2ccc(F)cc2CO)c1
InChIInChI=1S/C13H9BrFNO4/c14-11-3-2-10(16(18)19)6-13(11)20-12-4-1-9(15)5-8(12)7-17/h1-6,17H,7H2
InChIKeyHSDRIXJQFNBGTG-UHFFFAOYSA-N
XLogP3.78
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.12
LogP ≤ 53.78
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

[2-(2-chloro-4-nitrophenoxy)-5-fluorophenyl]methanol
CID 61030555
[2-(2,6-dibromo-4-nitrophenoxy)-5-fluorophenyl]methanol
CID 62097810
[2-(2-fluorophenoxy)-5-nitrophenyl]methanol
CID 28964127
[2-(2-bromo-4-fluorophenoxy)-5-fluorophenyl]methanol
CID 43313412
1-[2-(2-bromo-5-nitrophenoxy)-5-fluorophenyl]ethanamine
CID 103010640
(1R)-1-[2-(2-bromo-5-nitrophenoxy)-5-fluorophenyl]ethanamine
CID 103010611
[2-(2,5-difluoro-4-nitrophenoxy)-5-fluorophenyl]methanol
CID 63598315
[2-(4-bromo-2-methylphenoxy)-5-nitrophenyl]methanol
CID 63216881
1,3-dibromo-2-[2-(bromomethyl)-4-fluorophenoxy]-5-nitrobenzene
CID 107088275
[5-bromo-2-(4-nitrophenoxy)phenyl]methanol
CID 103600418
(1R)-1-[4-(2-bromo-5-nitrophenoxy)-3-fluorophenyl]ethanol
CID 103010836
2-[2-(bromomethyl)-4-nitrophenoxy]-4-fluoro-1-methylbenzene
CID 107089361

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-5-nitrophenoxy)-5-fluorophenyl]methanol?
The IUPAC name of [2-(2-bromo-5-nitrophenoxy)-5-fluorophenyl]methanol (CID 103010830) is [2-(2-bromo-5-nitrophenoxy)-5-fluorophenyl]methanol.
What is the SMILES notation for [2-(2-bromo-5-nitrophenoxy)-5-fluorophenyl]methanol?
The canonical SMILES for [2-(2-bromo-5-nitrophenoxy)-5-fluorophenyl]methanol is O=[N+]([O-])c1ccc(Br)c(Oc2ccc(F)cc2CO)c1.
What is the InChIKey of [2-(2-bromo-5-nitrophenoxy)-5-fluorophenyl]methanol?
The InChIKey is HSDRIXJQFNBGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFNO4/c14-11-3-2-10(16(18)19)6-13(11)20-12-4-1-9(15)5-8(12)7-17/h1-6,17H,7H2.
What are the key properties of [2-(2-bromo-5-nitrophenoxy)-5-fluorophenyl]methanol?
[2-(2-bromo-5-nitrophenoxy)-5-fluorophenyl]methanol has a molecular weight of 342.12 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromo-5-nitrophenoxy)-5-fluorophenyl]methanol is sourced from PubChem (CID 103010830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).