2-(2-chloro-4-nitrophenoxy)-5-ethyl-4-fluorophenol

C14H11ClFNO4 — CID 90657082

IUPAC2-(2-chloro-4-nitrophenoxy)-5-ethyl-4-fluorophenol
SMILESCCc1cc(O)c(Oc2ccc([N+](=O)[O-])cc2Cl)cc1F
InChIInChI=1S/C14H11ClFNO4/c1-2-8-5-12(18)14(7-11(8)16)21-13-4-3-9(17(19)20)6-10(13)15/h3-7,18H,2H2,1H3
InChIKeyRGNGXGXBSAFDJR-UHFFFAOYSA-N
MW311.70 g/mol
LogP4.45
Rot. Bonds4

About 2-(2-chloro-4-nitrophenoxy)-5-ethyl-4-fluorophenol

2-(2-chloro-4-nitrophenoxy)-5-ethyl-4-fluorophenol (PubChem CID 90657082) has the molecular formula C14H11ClFNO4 and a molecular weight of 311.70 g/mol. Its IUPAC name is 2-(2-chloro-4-nitrophenoxy)-5-ethyl-4-fluorophenol.

Molecular Properties

Compound Name2-(2-chloro-4-nitrophenoxy)-5-ethyl-4-fluorophenol
PubChem CID90657082
Molecular FormulaC14H11ClFNO4
Molecular Weight311.70 g/mol
Exact Mass311.04
IUPAC Name2-(2-chloro-4-nitrophenoxy)-5-ethyl-4-fluorophenol
SMILESCCc1cc(O)c(Oc2ccc([N+](=O)[O-])cc2Cl)cc1F
InChIInChI=1S/C14H11ClFNO4/c1-2-8-5-12(18)14(7-11(8)16)21-13-4-3-9(17(19)20)6-10(13)15/h3-7,18H,2H2,1H3
InChIKeyRGNGXGXBSAFDJR-UHFFFAOYSA-N
XLogP4.45
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.70
LogP ≤ 54.45
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'}

Analyze 2-(2-chloro-4-nitrophenoxy)-5-ethyl-4-fluorophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-nitrophenoxy)-5-ethyl-4-fluorophenol?
The IUPAC name of 2-(2-chloro-4-nitrophenoxy)-5-ethyl-4-fluorophenol (CID 90657082) is 2-(2-chloro-4-nitrophenoxy)-5-ethyl-4-fluorophenol.
What is the SMILES notation for 2-(2-chloro-4-nitrophenoxy)-5-ethyl-4-fluorophenol?
The canonical SMILES for 2-(2-chloro-4-nitrophenoxy)-5-ethyl-4-fluorophenol is CCc1cc(O)c(Oc2ccc([N+](=O)[O-])cc2Cl)cc1F.
What is the InChIKey of 2-(2-chloro-4-nitrophenoxy)-5-ethyl-4-fluorophenol?
The InChIKey is RGNGXGXBSAFDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO4/c1-2-8-5-12(18)14(7-11(8)16)21-13-4-3-9(17(19)20)6-10(13)15/h3-7,18H,2H2,1H3.
What are the key properties of 2-(2-chloro-4-nitrophenoxy)-5-ethyl-4-fluorophenol?
2-(2-chloro-4-nitrophenoxy)-5-ethyl-4-fluorophenol has a molecular weight of 311.70 g/mol, XLogP of 4.45, 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-ethyl-4-fluorophenol is sourced from PubChem (CID 90657082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).