1-[5-(3,5-dichlorophenoxy)-2-pyridinyl]ethanol

C13H11Cl2NO2 — CID 83125125

IUPAC1-[5-(3,5-dichlorophenoxy)-2-pyridinyl]ethanol
SMILESCC(O)c1ccc(Oc2cc(Cl)cc(Cl)c2)cn1
InChIInChI=1S/C13H11Cl2NO2/c1-8(17)13-3-2-11(7-16-13)18-12-5-9(14)4-10(15)6-12/h2-8,17H,1H3
InChIKeyADSNXGYSCRXSOU-UHFFFAOYSA-N
MW284.14 g/mol
LogP4.23
Rot. Bonds3

About 1-[5-(3,5-dichlorophenoxy)-2-pyridinyl]ethanol

1-[5-(3,5-dichlorophenoxy)-2-pyridinyl]ethanol (PubChem CID 83125125) has the molecular formula C13H11Cl2NO2 and a molecular weight of 284.14 g/mol. Its IUPAC name is 1-[5-(3,5-dichlorophenoxy)-2-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[5-(3,5-dichlorophenoxy)-2-pyridinyl]ethanol
PubChem CID83125125
Molecular FormulaC13H11Cl2NO2
Molecular Weight284.14 g/mol
Exact Mass283.02
IUPAC Name1-[5-(3,5-dichlorophenoxy)-2-pyridinyl]ethanol
SMILESCC(O)c1ccc(Oc2cc(Cl)cc(Cl)c2)cn1
InChIInChI=1S/C13H11Cl2NO2/c1-8(17)13-3-2-11(7-16-13)18-12-5-9(14)4-10(15)6-12/h2-8,17H,1H3
InChIKeyADSNXGYSCRXSOU-UHFFFAOYSA-N
XLogP4.23
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.14
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[5-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]ethanol
CID 83124719
1-[5-(3,4-difluorophenoxy)-2-pyridinyl]ethanol
CID 83125690
(1S)-1-[5-(3,5-dichlorophenoxy)-2-pyridinyl]propan-1-amine
CID 103937870
1-[5-(3-ethoxyphenoxy)-2-pyridinyl]ethanol
CID 83124813
1-[5-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-pyridinyl]ethanol
CID 83110707
(1R)-1-(5-chloro-2-pyridinyl)ethanol
CID 75356463
(1S)-1-[5-(3-tert-butylphenoxy)-2-pyridinyl]ethanol
CID 83125531
(1S)-1-[5-(5-chloro-2-nitrophenoxy)-2-pyridinyl]ethanol
CID 83124657
(1S)-1-[5-[4-(2-methoxyethyl)phenoxy]-2-pyridinyl]ethanol
CID 83124503
1-[5-(2-ethoxyphenoxy)-2-pyridinyl]ethanol
CID 83124644
(1R)-1-[5-(4-nitrophenoxy)-2-pyridinyl]ethanol
CID 83125211
(1S)-1-[5-(3-chlorophenoxy)-2-pyridinyl]ethanamine
CID 83127697

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,5-dichlorophenoxy)-2-pyridinyl]ethanol?
The IUPAC name of 1-[5-(3,5-dichlorophenoxy)-2-pyridinyl]ethanol (CID 83125125) is 1-[5-(3,5-dichlorophenoxy)-2-pyridinyl]ethanol.
What is the SMILES notation for 1-[5-(3,5-dichlorophenoxy)-2-pyridinyl]ethanol?
The canonical SMILES for 1-[5-(3,5-dichlorophenoxy)-2-pyridinyl]ethanol is CC(O)c1ccc(Oc2cc(Cl)cc(Cl)c2)cn1.
What is the InChIKey of 1-[5-(3,5-dichlorophenoxy)-2-pyridinyl]ethanol?
The InChIKey is ADSNXGYSCRXSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO2/c1-8(17)13-3-2-11(7-16-13)18-12-5-9(14)4-10(15)6-12/h2-8,17H,1H3.
What are the key properties of 1-[5-(3,5-dichlorophenoxy)-2-pyridinyl]ethanol?
1-[5-(3,5-dichlorophenoxy)-2-pyridinyl]ethanol has a molecular weight of 284.14 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,5-dichlorophenoxy)-2-pyridinyl]ethanol is sourced from PubChem (CID 83125125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).