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'}

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Related Compounds

3,5-dichloro-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]butoxy]phenol
CID 70269952
N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 22006727
3-ethyl-5-methyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]phenol
CID 18504580
5-(trifluoromethyl)-2-[3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]propoxy]pyridine
CID 57449137
3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine
CID 22175085
1-[3-chloro-5-(3,3-dichloroprop-2-enoxy)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]butoxy]phenyl]ethanone
CID 22318626
2-[3-[2-chloro-4-(3-chloro-3-fluoroprop-2-enoxy)-6-methylphenoxy]propoxy]-5-(trifluoromethyl)pyridine
CID 54038325
N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide
CID 23218369
3-chloro-5-(3,3-dichloroprop-2-enoxy)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]benzoic acid
CID 22318624
1-[3-chloro-5-(3,3-dichloroprop-2-enoxy)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]phenyl]ethanone
CID 10217782
3,5-dichloro-4-[3-(2,4,6-trichlorophenoxy)propoxy]phenol
CID 54396483
3,5-dichloro-4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dioxan-2-yl]ethoxy]phenol
CID 18504647

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).