5-ethyl-4-fluoro-2-(4-nitrophenoxy)phenol

C14H12FNO4 — CID 126961631

IUPAC5-ethyl-4-fluoro-2-(4-nitrophenoxy)phenol
SMILESCCc1cc(O)c(Oc2ccc([N+](=O)[O-])cc2)cc1F
InChIInChI=1S/C14H12FNO4/c1-2-9-7-13(17)14(8-12(9)15)20-11-5-3-10(4-6-11)16(18)19/h3-8,17H,2H2,1H3
InChIKeyBCPMFVNISSKIBF-UHFFFAOYSA-N
MW277.25 g/mol
LogP3.79
Rot. Bonds4

About 5-ethyl-4-fluoro-2-(4-nitrophenoxy)phenol

5-ethyl-4-fluoro-2-(4-nitrophenoxy)phenol (PubChem CID 126961631) has the molecular formula C14H12FNO4 and a molecular weight of 277.25 g/mol. Its IUPAC name is 5-ethyl-4-fluoro-2-(4-nitrophenoxy)phenol.

Molecular Properties

Compound Name5-ethyl-4-fluoro-2-(4-nitrophenoxy)phenol
PubChem CID126961631
Molecular FormulaC14H12FNO4
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC Name5-ethyl-4-fluoro-2-(4-nitrophenoxy)phenol
SMILESCCc1cc(O)c(Oc2ccc([N+](=O)[O-])cc2)cc1F
InChIInChI=1S/C14H12FNO4/c1-2-9-7-13(17)14(8-12(9)15)20-11-5-3-10(4-6-11)16(18)19/h3-8,17H,2H2,1H3
InChIKeyBCPMFVNISSKIBF-UHFFFAOYSA-N
XLogP3.79
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 53.79
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-(4-Aminophenoxy)-5-hexylphenol
CID 44450091
5-Hexyl-2-(2-nitrophenoxy)phenol
CID 44450122
5-Hexyl-2-(3-nitrophenoxy)phenol
CID 44450123
5-Hexyl-2-(4-nitrophenoxy)phenol
CID 44450124
2-(2-Chloro-4-Nitrophenoxy)-5-Ethyl-4-Fluorophenol
CID 90657082
5-Ethyl-4-Fluoro-2-(2-Nitrophenoxy)phenol
CID 124201638
5-Ethyl-2-(2-nitrophenoxy)phenol
CID 126961634
5-Methyl-2-(4-nitro-phenoxy)-anisole
CID 236785
5-Propyl-2-(4-aminophenoxy)phenol
CID 52946825
Benzene, 1-methyl-3-(4-nitrophenyl)-
CID 16816
2-Methoxy-4-methyl-1-{2-[2-(4-nitrophenoxy)ethoxy]ethoxy}benzene
CID 2282892
5-Propyl-2-(2-chloro-4-nitrophenoxy)phenol
CID 25023339

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-fluoro-2-(4-nitrophenoxy)phenol?
The IUPAC name of 5-ethyl-4-fluoro-2-(4-nitrophenoxy)phenol (CID 126961631) is 5-ethyl-4-fluoro-2-(4-nitrophenoxy)phenol.
What is the SMILES notation for 5-ethyl-4-fluoro-2-(4-nitrophenoxy)phenol?
The canonical SMILES for 5-ethyl-4-fluoro-2-(4-nitrophenoxy)phenol is CCc1cc(O)c(Oc2ccc([N+](=O)[O-])cc2)cc1F.
What is the InChIKey of 5-ethyl-4-fluoro-2-(4-nitrophenoxy)phenol?
The InChIKey is BCPMFVNISSKIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO4/c1-2-9-7-13(17)14(8-12(9)15)20-11-5-3-10(4-6-11)16(18)19/h3-8,17H,2H2,1H3.
What are the key properties of 5-ethyl-4-fluoro-2-(4-nitrophenoxy)phenol?
5-ethyl-4-fluoro-2-(4-nitrophenoxy)phenol has a molecular weight of 277.25 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-fluoro-2-(4-nitrophenoxy)phenol is sourced from PubChem (CID 126961631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).