5-[1-(2,6-dimethoxy-4-pyridinyl)ethenyl]-2-methoxyphenol

C16H17NO4 — CID 162672056

IUPAC5-[1-(2,6-dimethoxy-4-pyridinyl)ethenyl]-2-methoxyphenol
SMILESC=C(c1cc(OC)nc(OC)c1)c1ccc(OC)c(O)c1
InChIInChI=1S/C16H17NO4/c1-10(11-5-6-14(19-2)13(18)7-11)12-8-15(20-3)17-16(9-12)21-4/h5-9,18H,1H2,2-4H3
InChIKeyNLOUDXUEGSWNTJ-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.87
Rot. Bonds5

About 5-[1-(2,6-dimethoxy-4-pyridinyl)ethenyl]-2-methoxyphenol

5-[1-(2,6-dimethoxy-4-pyridinyl)ethenyl]-2-methoxyphenol (PubChem CID 162672056) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is 5-[1-(2,6-dimethoxy-4-pyridinyl)ethenyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[1-(2,6-dimethoxy-4-pyridinyl)ethenyl]-2-methoxyphenol
PubChem CID162672056
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name5-[1-(2,6-dimethoxy-4-pyridinyl)ethenyl]-2-methoxyphenol
SMILESC=C(c1cc(OC)nc(OC)c1)c1ccc(OC)c(O)c1
InChIInChI=1S/C16H17NO4/c1-10(11-5-6-14(19-2)13(18)7-11)12-8-15(20-3)17-16(9-12)21-4/h5-9,18H,1H2,2-4H3
InChIKeyNLOUDXUEGSWNTJ-UHFFFAOYSA-N
XLogP2.87
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,6-dimethoxy-4-pyridinyl)ethenyl]-2-methoxyphenol?
The IUPAC name of 5-[1-(2,6-dimethoxy-4-pyridinyl)ethenyl]-2-methoxyphenol (CID 162672056) is 5-[1-(2,6-dimethoxy-4-pyridinyl)ethenyl]-2-methoxyphenol.
What is the SMILES notation for 5-[1-(2,6-dimethoxy-4-pyridinyl)ethenyl]-2-methoxyphenol?
The canonical SMILES for 5-[1-(2,6-dimethoxy-4-pyridinyl)ethenyl]-2-methoxyphenol is C=C(c1cc(OC)nc(OC)c1)c1ccc(OC)c(O)c1.
What is the InChIKey of 5-[1-(2,6-dimethoxy-4-pyridinyl)ethenyl]-2-methoxyphenol?
The InChIKey is NLOUDXUEGSWNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-10(11-5-6-14(19-2)13(18)7-11)12-8-15(20-3)17-16(9-12)21-4/h5-9,18H,1H2,2-4H3.
What are the key properties of 5-[1-(2,6-dimethoxy-4-pyridinyl)ethenyl]-2-methoxyphenol?
5-[1-(2,6-dimethoxy-4-pyridinyl)ethenyl]-2-methoxyphenol has a molecular weight of 287.31 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,6-dimethoxy-4-pyridinyl)ethenyl]-2-methoxyphenol is sourced from PubChem (CID 162672056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).