3,5-dichloro-4-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]hexoxy]phenol

C18H18Cl2F3NO3 — CID 18504619

IUPAC3,5-dichloro-4-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]hexoxy]phenol
SMILESOc1cc(Cl)c(OCCCCCCOc2ccc(C(F)(F)F)cn2)c(Cl)c1
InChIInChI=1S/C18H18Cl2F3NO3/c19-14-9-13(25)10-15(20)17(14)27-8-4-2-1-3-7-26-16-6-5-12(11-24-16)18(21,22)23/h5-6,9-11,25H,1-4,7-8H2
InChIKeyIFNNNPIZLKQUBX-UHFFFAOYSA-N
MW424.25 g/mol
LogP6.13
Rot. Bonds9

About 3,5-dichloro-4-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]hexoxy]phenol

3,5-dichloro-4-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]hexoxy]phenol (PubChem CID 18504619) has the molecular formula C18H18Cl2F3NO3 and a molecular weight of 424.25 g/mol. Its IUPAC name is 3,5-dichloro-4-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]hexoxy]phenol.

Molecular Properties

Compound Name3,5-dichloro-4-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]hexoxy]phenol
PubChem CID18504619
Molecular FormulaC18H18Cl2F3NO3
Molecular Weight424.25 g/mol
Exact Mass423.06
IUPAC Name3,5-dichloro-4-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]hexoxy]phenol
SMILESOc1cc(Cl)c(OCCCCCCOc2ccc(C(F)(F)F)cn2)c(Cl)c1
InChIInChI=1S/C18H18Cl2F3NO3/c19-14-9-13(25)10-15(20)17(14)27-8-4-2-1-3-7-26-16-6-5-12(11-24-16)18(21,22)23/h5-6,9-11,25H,1-4,7-8H2
InChIKeyIFNNNPIZLKQUBX-UHFFFAOYSA-N
XLogP6.13
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.25
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3,5-dichloro-4-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]hexoxy]phenol 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 3,5-dichloro-4-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]hexoxy]phenol?
The IUPAC name of 3,5-dichloro-4-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]hexoxy]phenol (CID 18504619) is 3,5-dichloro-4-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]hexoxy]phenol.
What is the SMILES notation for 3,5-dichloro-4-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]hexoxy]phenol?
The canonical SMILES for 3,5-dichloro-4-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]hexoxy]phenol is Oc1cc(Cl)c(OCCCCCCOc2ccc(C(F)(F)F)cn2)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]hexoxy]phenol?
The InChIKey is IFNNNPIZLKQUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2F3NO3/c19-14-9-13(25)10-15(20)17(14)27-8-4-2-1-3-7-26-16-6-5-12(11-24-16)18(21,22)23/h5-6,9-11,25H,1-4,7-8H2.
What are the key properties of 3,5-dichloro-4-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]hexoxy]phenol?
3,5-dichloro-4-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]hexoxy]phenol has a molecular weight of 424.25 g/mol, XLogP of 6.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]hexoxy]phenol is sourced from PubChem (CID 18504619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).