3,5-dichloro-4-[(2,6-dichloro-3-pyridinyl)methoxy]phenol

C12H7Cl4NO2 — CID 18504688

IUPAC3,5-dichloro-4-[(2,6-dichloro-3-pyridinyl)methoxy]phenol
SMILESOc1cc(Cl)c(OCc2ccc(Cl)nc2Cl)c(Cl)c1
InChIInChI=1S/C12H7Cl4NO2/c13-8-3-7(18)4-9(14)11(8)19-5-6-1-2-10(15)17-12(6)16/h1-4,18H,5H2
InChIKeyOPTXSSGBHIWWEM-UHFFFAOYSA-N
MW339.01 g/mol
LogP4.98
Rot. Bonds3

About 3,5-dichloro-4-[(2,6-dichloro-3-pyridinyl)methoxy]phenol

3,5-dichloro-4-[(2,6-dichloro-3-pyridinyl)methoxy]phenol (PubChem CID 18504688) has the molecular formula C12H7Cl4NO2 and a molecular weight of 339.01 g/mol. Its IUPAC name is 3,5-dichloro-4-[(2,6-dichloro-3-pyridinyl)methoxy]phenol.

Molecular Properties

Compound Name3,5-dichloro-4-[(2,6-dichloro-3-pyridinyl)methoxy]phenol
PubChem CID18504688
Molecular FormulaC12H7Cl4NO2
Molecular Weight339.01 g/mol
Exact Mass336.92
IUPAC Name3,5-dichloro-4-[(2,6-dichloro-3-pyridinyl)methoxy]phenol
SMILESOc1cc(Cl)c(OCc2ccc(Cl)nc2Cl)c(Cl)c1
InChIInChI=1S/C12H7Cl4NO2/c13-8-3-7(18)4-9(14)11(8)19-5-6-1-2-10(15)17-12(6)16/h1-4,18H,5H2
InChIKeyOPTXSSGBHIWWEM-UHFFFAOYSA-N
XLogP4.98
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.01
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[(2,6-dichloro-3-pyridinyl)methoxy]phenol?
The IUPAC name of 3,5-dichloro-4-[(2,6-dichloro-3-pyridinyl)methoxy]phenol (CID 18504688) is 3,5-dichloro-4-[(2,6-dichloro-3-pyridinyl)methoxy]phenol.
What is the SMILES notation for 3,5-dichloro-4-[(2,6-dichloro-3-pyridinyl)methoxy]phenol?
The canonical SMILES for 3,5-dichloro-4-[(2,6-dichloro-3-pyridinyl)methoxy]phenol is Oc1cc(Cl)c(OCc2ccc(Cl)nc2Cl)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-[(2,6-dichloro-3-pyridinyl)methoxy]phenol?
The InChIKey is OPTXSSGBHIWWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl4NO2/c13-8-3-7(18)4-9(14)11(8)19-5-6-1-2-10(15)17-12(6)16/h1-4,18H,5H2.
What are the key properties of 3,5-dichloro-4-[(2,6-dichloro-3-pyridinyl)methoxy]phenol?
3,5-dichloro-4-[(2,6-dichloro-3-pyridinyl)methoxy]phenol has a molecular weight of 339.01 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[(2,6-dichloro-3-pyridinyl)methoxy]phenol is sourced from PubChem (CID 18504688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).