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

C16H17NO2 — CID 162672083

IUPAC5-[1-(2,6-dimethyl-4-pyridinyl)ethenyl]-2-methoxyphenol
SMILESC=C(c1cc(C)nc(C)c1)c1ccc(OC)c(O)c1
InChIInChI=1S/C16H17NO2/c1-10-7-14(8-11(2)17-10)12(3)13-5-6-16(19-4)15(18)9-13/h5-9,18H,3H2,1-2,4H3
InChIKeyLEHOFHYVLLZDRR-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.47
Rot. Bonds3

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

5-[1-(2,6-dimethyl-4-pyridinyl)ethenyl]-2-methoxyphenol (PubChem CID 162672083) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-[1-(2,6-dimethyl-4-pyridinyl)ethenyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[1-(2,6-dimethyl-4-pyridinyl)ethenyl]-2-methoxyphenol
PubChem CID162672083
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name5-[1-(2,6-dimethyl-4-pyridinyl)ethenyl]-2-methoxyphenol
SMILESC=C(c1cc(C)nc(C)c1)c1ccc(OC)c(O)c1
InChIInChI=1S/C16H17NO2/c1-10-7-14(8-11(2)17-10)12(3)13-5-6-16(19-4)15(18)9-13/h5-9,18H,3H2,1-2,4H3
InChIKeyLEHOFHYVLLZDRR-UHFFFAOYSA-N
XLogP3.47
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,6-dimethyl-4-pyridinyl)ethenyl]-2-methoxyphenol?
The IUPAC name of 5-[1-(2,6-dimethyl-4-pyridinyl)ethenyl]-2-methoxyphenol (CID 162672083) is 5-[1-(2,6-dimethyl-4-pyridinyl)ethenyl]-2-methoxyphenol.
What is the SMILES notation for 5-[1-(2,6-dimethyl-4-pyridinyl)ethenyl]-2-methoxyphenol?
The canonical SMILES for 5-[1-(2,6-dimethyl-4-pyridinyl)ethenyl]-2-methoxyphenol is C=C(c1cc(C)nc(C)c1)c1ccc(OC)c(O)c1.
What is the InChIKey of 5-[1-(2,6-dimethyl-4-pyridinyl)ethenyl]-2-methoxyphenol?
The InChIKey is LEHOFHYVLLZDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-10-7-14(8-11(2)17-10)12(3)13-5-6-16(19-4)15(18)9-13/h5-9,18H,3H2,1-2,4H3.
What are the key properties of 5-[1-(2,6-dimethyl-4-pyridinyl)ethenyl]-2-methoxyphenol?
5-[1-(2,6-dimethyl-4-pyridinyl)ethenyl]-2-methoxyphenol has a molecular weight of 255.32 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,6-dimethyl-4-pyridinyl)ethenyl]-2-methoxyphenol is sourced from PubChem (CID 162672083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).