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

C15H12Cl2F3NO3 — CID 18504557

IUPAC3,5-dichloro-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]phenol
SMILESOc1cc(Cl)c(OCCCOc2ccc(C(F)(F)F)cn2)c(Cl)c1
InChIInChI=1S/C15H12Cl2F3NO3/c16-11-6-10(22)7-12(17)14(11)24-5-1-4-23-13-3-2-9(8-21-13)15(18,19)20/h2-3,6-8,22H,1,4-5H2
InChIKeyFAXQVNGTIPTJNS-UHFFFAOYSA-N
MW382.17 g/mol
LogP4.96
Rot. Bonds6

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

3,5-dichloro-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]phenol (PubChem CID 18504557) has the molecular formula C15H12Cl2F3NO3 and a molecular weight of 382.17 g/mol. Its IUPAC name is 3,5-dichloro-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]phenol.

Molecular Properties

Compound Name3,5-dichloro-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]phenol
PubChem CID18504557
Molecular FormulaC15H12Cl2F3NO3
Molecular Weight382.17 g/mol
Exact Mass381.01
IUPAC Name3,5-dichloro-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]phenol
SMILESOc1cc(Cl)c(OCCCOc2ccc(C(F)(F)F)cn2)c(Cl)c1
InChIInChI=1S/C15H12Cl2F3NO3/c16-11-6-10(22)7-12(17)14(11)24-5-1-4-23-13-3-2-9(8-21-13)15(18,19)20/h2-3,6-8,22H,1,4-5H2
InChIKeyFAXQVNGTIPTJNS-UHFFFAOYSA-N
XLogP4.96
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.17
LogP ≤ 54.96
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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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]phenol?
The IUPAC name of 3,5-dichloro-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]phenol (CID 18504557) is 3,5-dichloro-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]phenol.
What is the SMILES notation for 3,5-dichloro-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]phenol?
The canonical SMILES for 3,5-dichloro-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]phenol is Oc1cc(Cl)c(OCCCOc2ccc(C(F)(F)F)cn2)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]phenol?
The InChIKey is FAXQVNGTIPTJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2F3NO3/c16-11-6-10(22)7-12(17)14(11)24-5-1-4-23-13-3-2-9(8-21-13)15(18,19)20/h2-3,6-8,22H,1,4-5H2.
What are the key properties of 3,5-dichloro-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]phenol?
3,5-dichloro-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]phenol has a molecular weight of 382.17 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]phenol is sourced from PubChem (CID 18504557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).