2-(2,4-dimethylphenoxy)-1-pyridin-4-ylethanol

C15H17NO2 — CID 14500456

IUPAC2-(2,4-dimethylphenoxy)-1-pyridin-4-ylethanol
SMILESCc1ccc(OCC(O)c2ccncc2)c(C)c1
InChIInChI=1S/C15H17NO2/c1-11-3-4-15(12(2)9-11)18-10-14(17)13-5-7-16-8-6-13/h3-9,14,17H,10H2,1-2H3
InChIKeyFXBUKZDUIXHKRA-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.81
Rot. Bonds4

About 2-(2,4-dimethylphenoxy)-1-pyridin-4-ylethanol

2-(2,4-dimethylphenoxy)-1-pyridin-4-ylethanol (PubChem CID 14500456) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-1-pyridin-4-ylethanol.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-1-pyridin-4-ylethanol
PubChem CID14500456
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2-(2,4-dimethylphenoxy)-1-pyridin-4-ylethanol
SMILESCc1ccc(OCC(O)c2ccncc2)c(C)c1
InChIInChI=1S/C15H17NO2/c1-11-3-4-15(12(2)9-11)18-10-14(17)13-5-7-16-8-6-13/h3-9,14,17H,10H2,1-2H3
InChIKeyFXBUKZDUIXHKRA-UHFFFAOYSA-N
XLogP2.81
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenoxy)-1-pyridin-4-ylethanol
CID 117246457
1-bromo-3-(2,4-dimethylphenoxy)propan-2-ol
CID 112560473
1-(2,4-dimethylphenoxy)-3-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]propan-2-ol
CID 16637006
2-(2-chlorophenoxy)-1-pyridin-4-ylethanol
CID 117246462
2-(2-fluoro-5-methylphenoxy)-1-(4-methylphenyl)ethanol
CID 64854475
1-(4-methylphenyl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanol
CID 63466297
1-(4-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol
CID 109414138
1-(4-aminophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol
CID 62265588
1-pyridin-4-yl-2-[2-(trifluoromethyl)phenoxy]ethanol
CID 117246453
2-(5-fluoro-2-methylphenoxy)-1-(4-methylphenyl)ethanol
CID 102977758
2-amino-1-[4-(2,4-dimethylphenoxy)phenyl]ethanol
CID 82044821
(4-methylphenyl)-pyridin-4-ylmethanol
CID 3383504

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-1-pyridin-4-ylethanol?
The IUPAC name of 2-(2,4-dimethylphenoxy)-1-pyridin-4-ylethanol (CID 14500456) is 2-(2,4-dimethylphenoxy)-1-pyridin-4-ylethanol.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-1-pyridin-4-ylethanol?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-1-pyridin-4-ylethanol is Cc1ccc(OCC(O)c2ccncc2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-1-pyridin-4-ylethanol?
The InChIKey is FXBUKZDUIXHKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11-3-4-15(12(2)9-11)18-10-14(17)13-5-7-16-8-6-13/h3-9,14,17H,10H2,1-2H3.
What are the key properties of 2-(2,4-dimethylphenoxy)-1-pyridin-4-ylethanol?
2-(2,4-dimethylphenoxy)-1-pyridin-4-ylethanol has a molecular weight of 243.31 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-1-pyridin-4-ylethanol is sourced from PubChem (CID 14500456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).