2-[2-(3,5-dimethoxy-4-propan-2-ylphenyl)ethenyl]pyridine;hydrochloride

C18H22ClNO2 — CID 141048759

IUPAC2-[2-(3,5-dimethoxy-4-propan-2-ylphenyl)ethenyl]pyridine;hydrochloride
SMILESCOc1cc(C=Cc2ccccn2)cc(OC)c1C(C)C.Cl
InChIInChI=1S/C18H21NO2.ClH/c1-13(2)18-16(20-3)11-14(12-17(18)21-4)8-9-15-7-5-6-10-19-15;/h5-13H,1-4H3;1H
InChIKeyMUGHCVLWVUWDNY-UHFFFAOYSA-N
MW319.83 g/mol
LogP4.81
Rot. Bonds5

About 2-[2-(3,5-dimethoxy-4-propan-2-ylphenyl)ethenyl]pyridine;hydrochloride

2-[2-(3,5-dimethoxy-4-propan-2-ylphenyl)ethenyl]pyridine;hydrochloride (PubChem CID 141048759) has the molecular formula C18H22ClNO2 and a molecular weight of 319.83 g/mol. Its IUPAC name is 2-[2-(3,5-dimethoxy-4-propan-2-ylphenyl)ethenyl]pyridine;hydrochloride.

Molecular Properties

Compound Name2-[2-(3,5-dimethoxy-4-propan-2-ylphenyl)ethenyl]pyridine;hydrochloride
PubChem CID141048759
Molecular FormulaC18H22ClNO2
Molecular Weight319.83 g/mol
Exact Mass319.13
IUPAC Name2-[2-(3,5-dimethoxy-4-propan-2-ylphenyl)ethenyl]pyridine;hydrochloride
SMILESCOc1cc(C=Cc2ccccn2)cc(OC)c1C(C)C.Cl
InChIInChI=1S/C18H21NO2.ClH/c1-13(2)18-16(20-3)11-14(12-17(18)21-4)8-9-15-7-5-6-10-19-15;/h5-13H,1-4H3;1H
InChIKeyMUGHCVLWVUWDNY-UHFFFAOYSA-N
XLogP4.81
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3E)-3-((2,4-Dimethoxyphenyl)methylene)-3,4,5,6-tetrahydro-2,3'-bipyridine
CID 5310985
4-[2-(3,5-Dimethoxy-phenyl)-vinyl]-pyridine
CID 11957947
4-[(E)-5,6-Dihydro-2,3'-bipyridin-3(4H)-ylidenemethyl]-3-methoxyphenol
CID 135508231
3-(2-Hydroxy-4-methoxybenzylidene)anabaseine
CID 135524501
4-(4-Methoxyphenyl)-2-methylpyridine
CID 23371780
Quinoline, 4-(2,4,5-trimethoxystyryl)-
CID 5351198
7-(3,5-Dimethoxyphenyl)-1,6-naphthyridine
CID 44142284
7-(3,5-Dimethoxyphenyl)-2-methyl-1,6-naphthyridine
CID 44434752
4''-(6-Methoxypyridin-3-yl)biphenyl-3-ol
CID 46887511
2-(2-(3-Methoxyphenyl)ethynyl)-5-methylpyridine
CID 16036762
(2,4-Dimethoxy-benzyl)-pyridin-4-ylmethyl-amine hydrochloride
CID 24746804
2-(4-Methoxyphenyl)-5-pentylpyridine
CID 2058335

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethoxy-4-propan-2-ylphenyl)ethenyl]pyridine;hydrochloride?
The IUPAC name of 2-[2-(3,5-dimethoxy-4-propan-2-ylphenyl)ethenyl]pyridine;hydrochloride (CID 141048759) is 2-[2-(3,5-dimethoxy-4-propan-2-ylphenyl)ethenyl]pyridine;hydrochloride.
What is the SMILES notation for 2-[2-(3,5-dimethoxy-4-propan-2-ylphenyl)ethenyl]pyridine;hydrochloride?
The canonical SMILES for 2-[2-(3,5-dimethoxy-4-propan-2-ylphenyl)ethenyl]pyridine;hydrochloride is COc1cc(C=Cc2ccccn2)cc(OC)c1C(C)C.Cl.
What is the InChIKey of 2-[2-(3,5-dimethoxy-4-propan-2-ylphenyl)ethenyl]pyridine;hydrochloride?
The InChIKey is MUGHCVLWVUWDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2.ClH/c1-13(2)18-16(20-3)11-14(12-17(18)21-4)8-9-15-7-5-6-10-19-15;/h5-13H,1-4H3;1H.
What are the key properties of 2-[2-(3,5-dimethoxy-4-propan-2-ylphenyl)ethenyl]pyridine;hydrochloride?
2-[2-(3,5-dimethoxy-4-propan-2-ylphenyl)ethenyl]pyridine;hydrochloride has a molecular weight of 319.83 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethoxy-4-propan-2-ylphenyl)ethenyl]pyridine;hydrochloride is sourced from PubChem (CID 141048759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).