[2-(2-chloro-4-nitrophenoxy)-5-fluorophenyl]methanol

C13H9ClFNO4 — CID 61030555

IUPAC[2-(2-chloro-4-nitrophenoxy)-5-fluorophenyl]methanol
SMILESO=[N+]([O-])c1ccc(Oc2ccc(F)cc2CO)c(Cl)c1
InChIInChI=1S/C13H9ClFNO4/c14-11-6-10(16(18)19)2-4-13(11)20-12-3-1-9(15)5-8(12)7-17/h1-6,17H,7H2
InChIKeyIVDZITVPUQIYDG-UHFFFAOYSA-N
MW297.67 g/mol
LogP3.67
Rot. Bonds4

About [2-(2-chloro-4-nitrophenoxy)-5-fluorophenyl]methanol

[2-(2-chloro-4-nitrophenoxy)-5-fluorophenyl]methanol (PubChem CID 61030555) has the molecular formula C13H9ClFNO4 and a molecular weight of 297.67 g/mol. Its IUPAC name is [2-(2-chloro-4-nitrophenoxy)-5-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-(2-chloro-4-nitrophenoxy)-5-fluorophenyl]methanol
PubChem CID61030555
Molecular FormulaC13H9ClFNO4
Molecular Weight297.67 g/mol
Exact Mass297.02
IUPAC Name[2-(2-chloro-4-nitrophenoxy)-5-fluorophenyl]methanol
SMILESO=[N+]([O-])c1ccc(Oc2ccc(F)cc2CO)c(Cl)c1
InChIInChI=1S/C13H9ClFNO4/c14-11-6-10(16(18)19)2-4-13(11)20-12-3-1-9(15)5-8(12)7-17/h1-6,17H,7H2
InChIKeyIVDZITVPUQIYDG-UHFFFAOYSA-N
XLogP3.67
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.67
LogP ≤ 53.67
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-bromo-5-nitrophenoxy)-5-fluorophenyl]methanol
CID 103010830
[2-(2-fluorophenoxy)-5-nitrophenyl]methanol
CID 28964127
[2-(4-chloro-3-fluorophenoxy)-5-nitrophenyl]methanol
CID 82716426
2-chloro-1-[4-chloro-2-(chloromethyl)phenoxy]-4-nitrobenzene
CID 114847061
[2-(2,6-dibromo-4-nitrophenoxy)-5-fluorophenyl]methanol
CID 62097810
[2-(2-chloro-4-methylphenoxy)-5-fluorophenyl]methanol
CID 62673083
1,3-dichloro-2-[2-(chloromethyl)-4-fluorophenoxy]-5-nitrobenzene
CID 63565898
[2-(2-chloro-4-nitrophenoxy)phenyl]methanamine
CID 54915300
[2-(2,5-difluoro-4-nitrophenoxy)-5-fluorophenyl]methanol
CID 63598315
[2-(3,5-dichlorophenoxy)-5-nitrophenyl]methanol
CID 43622036
1-(2-chloro-4-nitrophenoxy)-3-fluoro-2-nitrobenzene
CID 62665251
2-chloro-1-(2,4-dichlorophenoxy)-4-nitrobenzene
CID 2726875

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-4-nitrophenoxy)-5-fluorophenyl]methanol?
The IUPAC name of [2-(2-chloro-4-nitrophenoxy)-5-fluorophenyl]methanol (CID 61030555) is [2-(2-chloro-4-nitrophenoxy)-5-fluorophenyl]methanol.
What is the SMILES notation for [2-(2-chloro-4-nitrophenoxy)-5-fluorophenyl]methanol?
The canonical SMILES for [2-(2-chloro-4-nitrophenoxy)-5-fluorophenyl]methanol is O=[N+]([O-])c1ccc(Oc2ccc(F)cc2CO)c(Cl)c1.
What is the InChIKey of [2-(2-chloro-4-nitrophenoxy)-5-fluorophenyl]methanol?
The InChIKey is IVDZITVPUQIYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO4/c14-11-6-10(16(18)19)2-4-13(11)20-12-3-1-9(15)5-8(12)7-17/h1-6,17H,7H2.
What are the key properties of [2-(2-chloro-4-nitrophenoxy)-5-fluorophenyl]methanol?
[2-(2-chloro-4-nitrophenoxy)-5-fluorophenyl]methanol has a molecular weight of 297.67 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-4-nitrophenoxy)-5-fluorophenyl]methanol is sourced from PubChem (CID 61030555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).