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

C14H10Cl2F3NO3 — CID 18504613

IUPAC3,5-dichloro-4-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]phenol
SMILESOc1cc(Cl)c(OCCOc2ccc(C(F)(F)F)cn2)c(Cl)c1
InChIInChI=1S/C14H10Cl2F3NO3/c15-10-5-9(21)6-11(16)13(10)23-4-3-22-12-2-1-8(7-20-12)14(17,18)19/h1-2,5-7,21H,3-4H2
InChIKeyKSENNBBBSPAOTN-UHFFFAOYSA-N
MW368.14 g/mol
LogP4.57
Rot. Bonds5

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

3,5-dichloro-4-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]phenol (PubChem CID 18504613) has the molecular formula C14H10Cl2F3NO3 and a molecular weight of 368.14 g/mol. Its IUPAC name is 3,5-dichloro-4-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]phenol.

Molecular Properties

Compound Name3,5-dichloro-4-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]phenol
PubChem CID18504613
Molecular FormulaC14H10Cl2F3NO3
Molecular Weight368.14 g/mol
Exact Mass367.00
IUPAC Name3,5-dichloro-4-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]phenol
SMILESOc1cc(Cl)c(OCCOc2ccc(C(F)(F)F)cn2)c(Cl)c1
InChIInChI=1S/C14H10Cl2F3NO3/c15-10-5-9(21)6-11(16)13(10)23-4-3-22-12-2-1-8(7-20-12)14(17,18)19/h1-2,5-7,21H,3-4H2
InChIKeyKSENNBBBSPAOTN-UHFFFAOYSA-N
XLogP4.57
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.14
LogP ≤ 54.57
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-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]phenol?
The IUPAC name of 3,5-dichloro-4-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]phenol (CID 18504613) is 3,5-dichloro-4-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]phenol.
What is the SMILES notation for 3,5-dichloro-4-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]phenol?
The canonical SMILES for 3,5-dichloro-4-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]phenol is Oc1cc(Cl)c(OCCOc2ccc(C(F)(F)F)cn2)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]phenol?
The InChIKey is KSENNBBBSPAOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F3NO3/c15-10-5-9(21)6-11(16)13(10)23-4-3-22-12-2-1-8(7-20-12)14(17,18)19/h1-2,5-7,21H,3-4H2.
What are the key properties of 3,5-dichloro-4-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]phenol?
3,5-dichloro-4-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]phenol has a molecular weight of 368.14 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]phenol is sourced from PubChem (CID 18504613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).