2-(2-chlorophenoxy)-1-pyridin-4-ylethanol

C13H12ClNO2 — CID 117246462

IUPAC2-(2-chlorophenoxy)-1-pyridin-4-ylethanol
SMILESOC(COc1ccccc1Cl)c1ccncc1
InChIInChI=1S/C13H12ClNO2/c14-11-3-1-2-4-13(11)17-9-12(16)10-5-7-15-8-6-10/h1-8,12,16H,9H2
InChIKeyAAHBDDQWEQXZNG-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.85
Rot. Bonds4

About 2-(2-chlorophenoxy)-1-pyridin-4-ylethanol

2-(2-chlorophenoxy)-1-pyridin-4-ylethanol (PubChem CID 117246462) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-1-pyridin-4-ylethanol.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-1-pyridin-4-ylethanol
PubChem CID117246462
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Name2-(2-chlorophenoxy)-1-pyridin-4-ylethanol
SMILESOC(COc1ccccc1Cl)c1ccncc1
InChIInChI=1S/C13H12ClNO2/c14-11-3-1-2-4-13(11)17-9-12(16)10-5-7-15-8-6-10/h1-8,12,16H,9H2
InChIKeyAAHBDDQWEQXZNG-UHFFFAOYSA-N
XLogP2.85
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenoxy)-1-pyridin-4-ylethanol
CID 117246457
2-(2-chlorophenoxy)-1-(4-methoxyphenyl)ethanol
CID 117244582
1-pyridin-4-yl-2-[2-(trifluoromethyl)phenoxy]ethanol
CID 117246453
1-(3-aminophenyl)-2-(2-chlorophenoxy)ethanol
CID 62264762
2-amino-3-(2-chlorophenoxy)propane-1,1-diol
CID 156554315
2-(4-bromo-2-chlorophenoxy)-1-phenylethanol
CID 60725947
2-(2,4-dimethylphenoxy)-1-pyridin-4-ylethanol
CID 14500456
2-(2-bromophenoxy)-1-pyridin-3-ylethanol
CID 117241209
2-(2-ethoxyphenoxy)-1-phenylethanol
CID 60730563
1-(2-chlorophenoxy)-5-methylhexane-2,3-diol
CID 118334255
(2S)-1-(2-chlorophenoxy)-3-(dimethylamino)propan-2-ol
CID 40540867
(2S)-1-(2-chlorophenoxy)propan-2-amine
CID 42221597

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-1-pyridin-4-ylethanol?
The IUPAC name of 2-(2-chlorophenoxy)-1-pyridin-4-ylethanol (CID 117246462) is 2-(2-chlorophenoxy)-1-pyridin-4-ylethanol.
What is the SMILES notation for 2-(2-chlorophenoxy)-1-pyridin-4-ylethanol?
The canonical SMILES for 2-(2-chlorophenoxy)-1-pyridin-4-ylethanol is OC(COc1ccccc1Cl)c1ccncc1.
What is the InChIKey of 2-(2-chlorophenoxy)-1-pyridin-4-ylethanol?
The InChIKey is AAHBDDQWEQXZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2/c14-11-3-1-2-4-13(11)17-9-12(16)10-5-7-15-8-6-10/h1-8,12,16H,9H2.
What are the key properties of 2-(2-chlorophenoxy)-1-pyridin-4-ylethanol?
2-(2-chlorophenoxy)-1-pyridin-4-ylethanol has a molecular weight of 249.70 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-1-pyridin-4-ylethanol is sourced from PubChem (CID 117246462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).