2-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]ethanol

C15H17NO3 — CID 117001680

IUPAC2-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]ethanol
SMILESCOc1ccc(-c2ccc(CCO)cn2)cc1OC
InChIInChI=1S/C15H17NO3/c1-18-14-6-4-12(9-15(14)19-2)13-5-3-11(7-8-17)10-16-13/h3-6,9-10,17H,7-8H2,1-2H3
InChIKeySNZOABMMMZFFPS-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.30
Rot. Bonds5

About 2-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]ethanol

2-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]ethanol (PubChem CID 117001680) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]ethanol.

Molecular Properties

Compound Name2-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]ethanol
PubChem CID117001680
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name2-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]ethanol
SMILESCOc1ccc(-c2ccc(CCO)cn2)cc1OC
InChIInChI=1S/C15H17NO3/c1-18-14-6-4-12(9-15(14)19-2)13-5-3-11(7-8-17)10-16-13/h3-6,9-10,17H,7-8H2,1-2H3
InChIKeySNZOABMMMZFFPS-UHFFFAOYSA-N
XLogP2.30
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluoro-4-methoxyphenyl)-5-propylpyridine
CID 21286189
2-[6-(3-methylphenyl)-3-pyridinyl]ethanol
CID 117001661
2-(3-fluoro-4-methoxyphenyl)-5-octylpyridine
CID 19850593
(Z)-N-[[6-(3,4-dimethoxyphenyl)-3-pyridinyl]methyl]-N-methyl-2-(methylideneamino)ethenamine
CID 163587116
[6-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]methanamine
CID 83918620
5-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyridine
CID 90670581
2-(3,4-dimethoxyphenyl)pyrimidin-5-amine
CID 43142283
1-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-1-(methylamino)propan-2-one
CID 70320351
2-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]ethanol
CID 24946507
(3S)-3-amino-3-[2-(3,4-dimethoxyphenyl)pyrimidin-5-yl]propanoic acid
CID 40801420
2-(4-methoxyphenyl)-5-propylpyridine
CID 54073906
2-(3,4-dimethylphenyl)-5-propylpyridine
CID 140847513

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]ethanol?
The IUPAC name of 2-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]ethanol (CID 117001680) is 2-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]ethanol.
What is the SMILES notation for 2-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]ethanol?
The canonical SMILES for 2-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]ethanol is COc1ccc(-c2ccc(CCO)cn2)cc1OC.
What is the InChIKey of 2-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]ethanol?
The InChIKey is SNZOABMMMZFFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-18-14-6-4-12(9-15(14)19-2)13-5-3-11(7-8-17)10-16-13/h3-6,9-10,17H,7-8H2,1-2H3.
What are the key properties of 2-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]ethanol?
2-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]ethanol has a molecular weight of 259.31 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]ethanol is sourced from PubChem (CID 117001680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).