methyl 6-[[3-(3-hydroxy-2-methylphenyl)-2-methylphenoxy]methyl]pyridine-3-carboxylate

C22H21NO4 — CID 162377279

IUPACmethyl 6-[[3-(3-hydroxy-2-methylphenyl)-2-methylphenoxy]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(COc2cccc(-c3cccc(O)c3C)c2C)nc1
InChIInChI=1S/C22H21NO4/c1-14-18(6-4-8-20(14)24)19-7-5-9-21(15(19)2)27-13-17-11-10-16(12-23-17)22(25)26-3/h4-12,24H,13H2,1-3H3
InChIKeyYPJFCECVOGHYKU-UHFFFAOYSA-N
MW363.41 g/mol
LogP4.44
Rot. Bonds5

About methyl 6-[[3-(3-hydroxy-2-methylphenyl)-2-methylphenoxy]methyl]pyridine-3-carboxylate

methyl 6-[[3-(3-hydroxy-2-methylphenyl)-2-methylphenoxy]methyl]pyridine-3-carboxylate (PubChem CID 162377279) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is methyl 6-[[3-(3-hydroxy-2-methylphenyl)-2-methylphenoxy]methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[3-(3-hydroxy-2-methylphenyl)-2-methylphenoxy]methyl]pyridine-3-carboxylate
PubChem CID162377279
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Namemethyl 6-[[3-(3-hydroxy-2-methylphenyl)-2-methylphenoxy]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(COc2cccc(-c3cccc(O)c3C)c2C)nc1
InChIInChI=1S/C22H21NO4/c1-14-18(6-4-8-20(14)24)19-7-5-9-21(15(19)2)27-13-17-11-10-16(12-23-17)22(25)26-3/h4-12,24H,13H2,1-3H3
InChIKeyYPJFCECVOGHYKU-UHFFFAOYSA-N
XLogP4.44
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-(acetyloxymethyl)pyridine-3-carboxylate
CID 10353032
methyl 4-(3-hydroxy-2-methylphenyl)-3-methylbenzoate
CID 22606889
methyl 6-(pyridin-2-ylmethoxymethyl)pyridine-3-carboxylate
CID 83214326
methyl 6-[(4-bromo-3,5-dimethylphenoxy)methyl]pyridine-3-carboxylate
CID 107722368
methyl 6-[(2-amino-6-fluorophenoxy)methyl]pyridine-3-carboxylate
CID 104831209
methyl 6-(chloromethyl)pyridine-3-carboxylate
CID 15331516
ethane;methyl 6-(bromomethyl)pyridine-3-carboxylate
CID 142289362
methyl 6-[[2-fluoro-4-(hydroxymethyl)phenoxy]methyl]pyridine-3-carboxylate
CID 107690536
6-[(2-bromo-6-methoxyphenoxy)methyl]pyridine-3-carbohydrazide
CID 83137072
methyl 6-[(4-oxocyclohexyl)oxymethyl]pyridine-3-carboxylate
CID 113414185
methyl 6-[(2-bromophenyl)methoxymethyl]pyridine-3-carboxylate
CID 82828515
methyl 2-[3-(2-hydroxyphenyl)-2-methylphenoxy]acetate
CID 10659779

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[3-(3-hydroxy-2-methylphenyl)-2-methylphenoxy]methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[3-(3-hydroxy-2-methylphenyl)-2-methylphenoxy]methyl]pyridine-3-carboxylate (CID 162377279) is methyl 6-[[3-(3-hydroxy-2-methylphenyl)-2-methylphenoxy]methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[3-(3-hydroxy-2-methylphenyl)-2-methylphenoxy]methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[3-(3-hydroxy-2-methylphenyl)-2-methylphenoxy]methyl]pyridine-3-carboxylate is COC(=O)c1ccc(COc2cccc(-c3cccc(O)c3C)c2C)nc1.
What is the InChIKey of methyl 6-[[3-(3-hydroxy-2-methylphenyl)-2-methylphenoxy]methyl]pyridine-3-carboxylate?
The InChIKey is YPJFCECVOGHYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4/c1-14-18(6-4-8-20(14)24)19-7-5-9-21(15(19)2)27-13-17-11-10-16(12-23-17)22(25)26-3/h4-12,24H,13H2,1-3H3.
What are the key properties of methyl 6-[[3-(3-hydroxy-2-methylphenyl)-2-methylphenoxy]methyl]pyridine-3-carboxylate?
methyl 6-[[3-(3-hydroxy-2-methylphenyl)-2-methylphenoxy]methyl]pyridine-3-carboxylate has a molecular weight of 363.41 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[3-(3-hydroxy-2-methylphenyl)-2-methylphenoxy]methyl]pyridine-3-carboxylate is sourced from PubChem (CID 162377279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).