2-(2,5-dimethylphenyl)-1-(6-methoxy-3-pyridinyl)ethanol

C16H19NO2 — CID 114938079

IUPAC2-(2,5-dimethylphenyl)-1-(6-methoxy-3-pyridinyl)ethanol
SMILESCOc1ccc(C(O)Cc2cc(C)ccc2C)cn1
InChIInChI=1S/C16H19NO2/c1-11-4-5-12(2)14(8-11)9-15(18)13-6-7-16(19-3)17-10-13/h4-8,10,15,18H,9H2,1-3H3
InChIKeyXIMVIKZMLXGGMU-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.98
Rot. Bonds4

About 2-(2,5-dimethylphenyl)-1-(6-methoxy-3-pyridinyl)ethanol

2-(2,5-dimethylphenyl)-1-(6-methoxy-3-pyridinyl)ethanol (PubChem CID 114938079) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1-(6-methoxy-3-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-1-(6-methoxy-3-pyridinyl)ethanol
PubChem CID114938079
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2-(2,5-dimethylphenyl)-1-(6-methoxy-3-pyridinyl)ethanol
SMILESCOc1ccc(C(O)Cc2cc(C)ccc2C)cn1
InChIInChI=1S/C16H19NO2/c1-11-4-5-12(2)14(8-11)9-15(18)13-6-7-16(19-3)17-10-13/h4-8,10,15,18H,9H2,1-3H3
InChIKeyXIMVIKZMLXGGMU-UHFFFAOYSA-N
XLogP2.98
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylphenyl)-1-(4-methylphenyl)ethanol
CID 61481687
2-(2,5-dimethylphenyl)-1-(3-methoxy-4-methylphenyl)ethanol
CID 63018668
2-(2-methoxy-5-methylphenyl)-1-(6-methyl-3-pyridinyl)ethanol
CID 104822975
2-methoxy-1-(6-methoxy-3-pyridinyl)ethanol
CID 114937935
1-(6-methoxy-3-pyridinyl)-2-quinolin-4-ylethanol
CID 114937830
2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanol
CID 61482044
2-(2,5-dimethylphenyl)-1-(5-fluoro-3-pyridinyl)ethanol
CID 114981178
1-(3-bromo-4-ethoxyphenyl)-2-(2,5-dimethylphenyl)ethanol
CID 104661074
2-ethoxy-1-(6-methoxy-3-pyridinyl)ethanol
CID 114937958
2-(5-ethyl-2-pyridinyl)-1-(6-methoxy-3-pyridinyl)ethanol
CID 114937798
[(2S)-2-hydroxy-2-(6-methoxy-3-pyridinyl)ethyl] 4-methylbenzenesulfonate
CID 87185696
bis(6-methoxy-3-pyridinyl)methanol;ethane
CID 145185177

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1-(6-methoxy-3-pyridinyl)ethanol?
The IUPAC name of 2-(2,5-dimethylphenyl)-1-(6-methoxy-3-pyridinyl)ethanol (CID 114938079) is 2-(2,5-dimethylphenyl)-1-(6-methoxy-3-pyridinyl)ethanol.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-1-(6-methoxy-3-pyridinyl)ethanol?
The canonical SMILES for 2-(2,5-dimethylphenyl)-1-(6-methoxy-3-pyridinyl)ethanol is COc1ccc(C(O)Cc2cc(C)ccc2C)cn1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-1-(6-methoxy-3-pyridinyl)ethanol?
The InChIKey is XIMVIKZMLXGGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11-4-5-12(2)14(8-11)9-15(18)13-6-7-16(19-3)17-10-13/h4-8,10,15,18H,9H2,1-3H3.
What are the key properties of 2-(2,5-dimethylphenyl)-1-(6-methoxy-3-pyridinyl)ethanol?
2-(2,5-dimethylphenyl)-1-(6-methoxy-3-pyridinyl)ethanol has a molecular weight of 257.33 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-1-(6-methoxy-3-pyridinyl)ethanol is sourced from PubChem (CID 114938079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).