[2-(4-chloro-3-fluorophenoxy)-5-nitrophenyl]methanol

C13H9ClFNO4 — CID 82716426

IUPAC[2-(4-chloro-3-fluorophenoxy)-5-nitrophenyl]methanol
SMILESO=[N+]([O-])c1ccc(Oc2ccc(Cl)c(F)c2)c(CO)c1
InChIInChI=1S/C13H9ClFNO4/c14-11-3-2-10(6-12(11)15)20-13-4-1-9(16(18)19)5-8(13)7-17/h1-6,17H,7H2
InChIKeyGKXIPDYYSOGIPV-UHFFFAOYSA-N
MW297.67 g/mol
LogP3.67
Rot. Bonds4

About [2-(4-chloro-3-fluorophenoxy)-5-nitrophenyl]methanol

[2-(4-chloro-3-fluorophenoxy)-5-nitrophenyl]methanol (PubChem CID 82716426) has the molecular formula C13H9ClFNO4 and a molecular weight of 297.67 g/mol. Its IUPAC name is [2-(4-chloro-3-fluorophenoxy)-5-nitrophenyl]methanol.

Molecular Properties

Compound Name[2-(4-chloro-3-fluorophenoxy)-5-nitrophenyl]methanol
PubChem CID82716426
Molecular FormulaC13H9ClFNO4
Molecular Weight297.67 g/mol
Exact Mass297.02
IUPAC Name[2-(4-chloro-3-fluorophenoxy)-5-nitrophenyl]methanol
SMILESO=[N+]([O-])c1ccc(Oc2ccc(Cl)c(F)c2)c(CO)c1
InChIInChI=1S/C13H9ClFNO4/c14-11-3-2-10(6-12(11)15)20-13-4-1-9(16(18)19)5-8(13)7-17/h1-6,17H,7H2
InChIKeyGKXIPDYYSOGIPV-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-(3,5-dichlorophenoxy)-5-nitrophenyl]methanol
CID 43622036
[2-(2-chloro-4-nitrophenoxy)-5-fluorophenyl]methanol
CID 61030555
[2-(2-fluorophenoxy)-5-nitrophenyl]methanol
CID 28964127
2-(chloromethyl)-1-(4-fluorophenoxy)-4-nitrobenzene
CID 28964827
[5-bromo-2-(4-nitrophenoxy)phenyl]methanol
CID 103600418
[2-(hydroxymethyl)-4-nitrophenyl] 2-chloro-6-fluorobenzoate
CID 165354265
2-chloro-4-(2-fluoro-4-nitrophenoxy)-1-methylbenzene
CID 154939680
[4-(4-chloro-3-fluorophenoxy)-3-fluorophenyl]methanol
CID 82716427
[2-(1-methylpyrazol-4-yl)oxy-5-nitrophenyl]methanol
CID 116793025
[2-(2-fluoroethoxy)-5-nitrophenyl]methanol
CID 80695743
[3-(4-chloro-3-fluorophenoxy)-4-pyridinyl]methanol
CID 105067210
[2-(2-bromo-5-nitrophenoxy)-5-fluorophenyl]methanol
CID 103010830

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-3-fluorophenoxy)-5-nitrophenyl]methanol?
The IUPAC name of [2-(4-chloro-3-fluorophenoxy)-5-nitrophenyl]methanol (CID 82716426) is [2-(4-chloro-3-fluorophenoxy)-5-nitrophenyl]methanol.
What is the SMILES notation for [2-(4-chloro-3-fluorophenoxy)-5-nitrophenyl]methanol?
The canonical SMILES for [2-(4-chloro-3-fluorophenoxy)-5-nitrophenyl]methanol is O=[N+]([O-])c1ccc(Oc2ccc(Cl)c(F)c2)c(CO)c1.
What is the InChIKey of [2-(4-chloro-3-fluorophenoxy)-5-nitrophenyl]methanol?
The InChIKey is GKXIPDYYSOGIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO4/c14-11-3-2-10(6-12(11)15)20-13-4-1-9(16(18)19)5-8(13)7-17/h1-6,17H,7H2.
What are the key properties of [2-(4-chloro-3-fluorophenoxy)-5-nitrophenyl]methanol?
[2-(4-chloro-3-fluorophenoxy)-5-nitrophenyl]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-(4-chloro-3-fluorophenoxy)-5-nitrophenyl]methanol is sourced from PubChem (CID 82716426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).