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

C20H20ClNO4 — CID 90670592

IUPAC5-[6-(2,4-dimethoxyphenyl)-2-pyridinyl]-2-methoxyphenol;hydrochloride
SMILESCOc1ccc(-c2cccc(-c3ccc(OC)c(O)c3)n2)c(OC)c1.Cl
InChIInChI=1S/C20H19NO4.ClH/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;1H
InChIKeyNFHZGDUCWPJPIU-UHFFFAOYSA-N
MW373.84 g/mol
LogP4.57
Rot. Bonds5

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

5-[6-(2,4-dimethoxyphenyl)-2-pyridinyl]-2-methoxyphenol;hydrochloride (PubChem CID 90670592) has the molecular formula C20H20ClNO4 and a molecular weight of 373.84 g/mol. Its IUPAC name is 5-[6-(2,4-dimethoxyphenyl)-2-pyridinyl]-2-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name5-[6-(2,4-dimethoxyphenyl)-2-pyridinyl]-2-methoxyphenol;hydrochloride
PubChem CID90670592
Molecular FormulaC20H20ClNO4
Molecular Weight373.84 g/mol
Exact Mass373.11
IUPAC Name5-[6-(2,4-dimethoxyphenyl)-2-pyridinyl]-2-methoxyphenol;hydrochloride
SMILESCOc1ccc(-c2cccc(-c3ccc(OC)c(O)c3)n2)c(OC)c1.Cl
InChIInChI=1S/C20H19NO4.ClH/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;1H
InChIKeyNFHZGDUCWPJPIU-UHFFFAOYSA-N
XLogP4.57
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 54.57
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;hydrochloride?
The IUPAC name of 5-[6-(2,4-dimethoxyphenyl)-2-pyridinyl]-2-methoxyphenol;hydrochloride (CID 90670592) is 5-[6-(2,4-dimethoxyphenyl)-2-pyridinyl]-2-methoxyphenol;hydrochloride.
What is the SMILES notation for 5-[6-(2,4-dimethoxyphenyl)-2-pyridinyl]-2-methoxyphenol;hydrochloride?
The canonical SMILES for 5-[6-(2,4-dimethoxyphenyl)-2-pyridinyl]-2-methoxyphenol;hydrochloride is COc1ccc(-c2cccc(-c3ccc(OC)c(O)c3)n2)c(OC)c1.Cl.
What is the InChIKey of 5-[6-(2,4-dimethoxyphenyl)-2-pyridinyl]-2-methoxyphenol;hydrochloride?
The InChIKey is NFHZGDUCWPJPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4.ClH/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;1H.
What are the key properties of 5-[6-(2,4-dimethoxyphenyl)-2-pyridinyl]-2-methoxyphenol;hydrochloride?
5-[6-(2,4-dimethoxyphenyl)-2-pyridinyl]-2-methoxyphenol;hydrochloride has a molecular weight of 373.84 g/mol, XLogP of 4.57, 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;hydrochloride is sourced from PubChem (CID 90670592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).