2-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyridin-3-ol

C16H19NO3 — CID 1204262

IUPAC2-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyridin-3-ol
SMILESCOc1ccc(CCc2nc(C)ccc2O)cc1OC
InChIInChI=1S/C16H19NO3/c1-11-4-8-14(18)13(17-11)7-5-12-6-9-15(19-2)16(10-12)20-3/h4,6,8-10,18H,5,7H2,1-3H3
InChIKeyCDNMMYKXMVEHCZ-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.90
Rot. Bonds5

About 2-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyridin-3-ol

2-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyridin-3-ol (PubChem CID 1204262) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyridin-3-ol
PubChem CID1204262
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyridin-3-ol
SMILESCOc1ccc(CCc2nc(C)ccc2O)cc1OC
InChIInChI=1S/C16H19NO3/c1-11-4-8-14(18)13(17-11)7-5-12-6-9-15(19-2)16(10-12)20-3/h4,6,8-10,18H,5,7H2,1-3H3
InChIKeyCDNMMYKXMVEHCZ-UHFFFAOYSA-N
XLogP2.90
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(3,4-dimethoxyphenyl)methylamino]methyl]-6-methylpyridin-3-ol
CID 78928448
4-[2-(3,4-dimethoxyphenyl)ethyl]-6-[5-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydroxyphenyl]benzene-1,3-diol
CID 172870583
2-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dihydroxyphenyl]benzene-1,4-diol
CID 172870659
4-[2-(3,4-dimethoxyphenyl)ethyl]-5-[2-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxy-4-methoxyphenyl]-2-methoxyphenol
CID 172870617
4-[2-(3,4-dimethoxyphenyl)ethyl]benzene-1,3-diol
CID 146465876
2-methoxy-4-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]phenol
CID 118728002
2-(3,4-dimethoxyphenyl)ethoxy-trimethylsilane
CID 121004210
N-[2-(3,4-dimethoxyphenyl)ethyl]propan-2-imine
CID 10857049
4-[9-(3,4-dimethoxyphenyl)nonyl]phenol
CID 10736998
N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride
CID 2969423
1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
ethane;2-methoxy-4-propylphenol
CID 144852330

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyridin-3-ol (CID 1204262) is 2-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyridin-3-ol is COc1ccc(CCc2nc(C)ccc2O)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyridin-3-ol?
The InChIKey is CDNMMYKXMVEHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-11-4-8-14(18)13(17-11)7-5-12-6-9-15(19-2)16(10-12)20-3/h4,6,8-10,18H,5,7H2,1-3H3.
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyridin-3-ol?
2-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyridin-3-ol has a molecular weight of 273.33 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 1204262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).