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

C11H7Cl2NO2 — CID 2726587

IUPAC4-[(3,5-dichloro-4-pyridinyl)oxy]phenol
SMILESOc1ccc(Oc2c(Cl)cncc2Cl)cc1
InChIInChI=1S/C11H7Cl2NO2/c12-9-5-14-6-10(13)11(9)16-8-3-1-7(15)2-4-8/h1-6,15H
InChIKeyDHNCGRDWPRVXGN-UHFFFAOYSA-N
MW256.09 g/mol
LogP3.89
Rot. Bonds2

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

4-[(3,5-dichloro-4-pyridinyl)oxy]phenol (PubChem CID 2726587) has the molecular formula C11H7Cl2NO2 and a molecular weight of 256.09 g/mol. Its IUPAC name is 4-[(3,5-dichloro-4-pyridinyl)oxy]phenol.

Molecular Properties

Compound Name4-[(3,5-dichloro-4-pyridinyl)oxy]phenol
PubChem CID2726587
Molecular FormulaC11H7Cl2NO2
Molecular Weight256.09 g/mol
Exact Mass254.99
IUPAC Name4-[(3,5-dichloro-4-pyridinyl)oxy]phenol
SMILESOc1ccc(Oc2c(Cl)cncc2Cl)cc1
InChIInChI=1S/C11H7Cl2NO2/c12-9-5-14-6-10(13)11(9)16-8-3-1-7(15)2-4-8/h1-6,15H
InChIKeyDHNCGRDWPRVXGN-UHFFFAOYSA-N
XLogP3.89
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dichloro-4-pyridinyl)oxy]phenol?
The IUPAC name of 4-[(3,5-dichloro-4-pyridinyl)oxy]phenol (CID 2726587) is 4-[(3,5-dichloro-4-pyridinyl)oxy]phenol.
What is the SMILES notation for 4-[(3,5-dichloro-4-pyridinyl)oxy]phenol?
The canonical SMILES for 4-[(3,5-dichloro-4-pyridinyl)oxy]phenol is Oc1ccc(Oc2c(Cl)cncc2Cl)cc1.
What is the InChIKey of 4-[(3,5-dichloro-4-pyridinyl)oxy]phenol?
The InChIKey is DHNCGRDWPRVXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2NO2/c12-9-5-14-6-10(13)11(9)16-8-3-1-7(15)2-4-8/h1-6,15H.
What are the key properties of 4-[(3,5-dichloro-4-pyridinyl)oxy]phenol?
4-[(3,5-dichloro-4-pyridinyl)oxy]phenol has a molecular weight of 256.09 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dichloro-4-pyridinyl)oxy]phenol is sourced from PubChem (CID 2726587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).