5-[6-(2,4-dimethoxyphenyl)-2-pyridinyl]-2-methoxyphenol

C20H19NO4 — CID 90670590

IUPAC5-[6-(2,4-dimethoxyphenyl)-2-pyridinyl]-2-methoxyphenol
SMILESCOc1ccc(-c2cccc(-c3ccc(OC)c(O)c3)n2)c(OC)c1
InChIInChI=1S/C20H19NO4/c1-23-14-8-9-15(20(12-14)25-3)17-6-4-5-16(21-17)13-7-10-19(24-2)18(22)11-13/h4-12,22H,1-3H3
InChIKeyMCFYBNCYMSZQFZ-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.15
Rot. Bonds5

About 5-[6-(2,4-dimethoxyphenyl)-2-pyridinyl]-2-methoxyphenol

5-[6-(2,4-dimethoxyphenyl)-2-pyridinyl]-2-methoxyphenol (PubChem CID 90670590) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 5-[6-(2,4-dimethoxyphenyl)-2-pyridinyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[6-(2,4-dimethoxyphenyl)-2-pyridinyl]-2-methoxyphenol
PubChem CID90670590
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name5-[6-(2,4-dimethoxyphenyl)-2-pyridinyl]-2-methoxyphenol
SMILESCOc1ccc(-c2cccc(-c3ccc(OC)c(O)c3)n2)c(OC)c1
InChIInChI=1S/C20H19NO4/c1-23-14-8-9-15(20(12-14)25-3)17-6-4-5-16(21-17)13-7-10-19(24-2)18(22)11-13/h4-12,22H,1-3H3
InChIKeyMCFYBNCYMSZQFZ-UHFFFAOYSA-N
XLogP4.15
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(2,4-dimethoxyphenyl)-2-pyridinyl]-2-methoxyphenol?
The IUPAC name of 5-[6-(2,4-dimethoxyphenyl)-2-pyridinyl]-2-methoxyphenol (CID 90670590) is 5-[6-(2,4-dimethoxyphenyl)-2-pyridinyl]-2-methoxyphenol.
What is the SMILES notation for 5-[6-(2,4-dimethoxyphenyl)-2-pyridinyl]-2-methoxyphenol?
The canonical SMILES for 5-[6-(2,4-dimethoxyphenyl)-2-pyridinyl]-2-methoxyphenol is COc1ccc(-c2cccc(-c3ccc(OC)c(O)c3)n2)c(OC)c1.
What is the InChIKey of 5-[6-(2,4-dimethoxyphenyl)-2-pyridinyl]-2-methoxyphenol?
The InChIKey is MCFYBNCYMSZQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-23-14-8-9-15(20(12-14)25-3)17-6-4-5-16(21-17)13-7-10-19(24-2)18(22)11-13/h4-12,22H,1-3H3.
What are the key properties of 5-[6-(2,4-dimethoxyphenyl)-2-pyridinyl]-2-methoxyphenol?
5-[6-(2,4-dimethoxyphenyl)-2-pyridinyl]-2-methoxyphenol has a molecular weight of 337.38 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2,4-dimethoxyphenyl)-2-pyridinyl]-2-methoxyphenol is sourced from PubChem (CID 90670590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).