3-[(2,6-dichlorophenoxy)methyl]-6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxypyridine

C26H29Cl2NO2 — CID 66994471

IUPAC3-[(2,6-dichlorophenoxy)methyl]-6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxypyridine
SMILESCCc1cccc(CC)c1-c1cc(OC(C)C)c(COc2c(Cl)cccc2Cl)c(C)n1
InChIInChI=1S/C26H29Cl2NO2/c1-6-18-10-8-11-19(7-2)25(18)23-14-24(31-16(3)4)20(17(5)29-23)15-30-26-21(27)12-9-13-22(26)28/h8-14,16H,6-7,15H2,1-5H3
InChIKeyNJVYSVQRYVSOTI-UHFFFAOYSA-N
MW458.43 g/mol
LogP7.85
Rot. Bonds8

About 3-[(2,6-dichlorophenoxy)methyl]-6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxypyridine

3-[(2,6-dichlorophenoxy)methyl]-6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxypyridine (PubChem CID 66994471) has the molecular formula C26H29Cl2NO2 and a molecular weight of 458.43 g/mol. Its IUPAC name is 3-[(2,6-dichlorophenoxy)methyl]-6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxypyridine.

Molecular Properties

Compound Name3-[(2,6-dichlorophenoxy)methyl]-6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxypyridine
PubChem CID66994471
Molecular FormulaC26H29Cl2NO2
Molecular Weight458.43 g/mol
Exact Mass457.16
IUPAC Name3-[(2,6-dichlorophenoxy)methyl]-6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxypyridine
SMILESCCc1cccc(CC)c1-c1cc(OC(C)C)c(COc2c(Cl)cccc2Cl)c(C)n1
InChIInChI=1S/C26H29Cl2NO2/c1-6-18-10-8-11-19(7-2)25(18)23-14-24(31-16(3)4)20(17(5)29-23)15-30-26-21(27)12-9-13-22(26)28/h8-14,16H,6-7,15H2,1-5H3
InChIKeyNJVYSVQRYVSOTI-UHFFFAOYSA-N
XLogP7.85
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.43
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichlorophenoxy)methyl]-6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxypyridine?
The IUPAC name of 3-[(2,6-dichlorophenoxy)methyl]-6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxypyridine (CID 66994471) is 3-[(2,6-dichlorophenoxy)methyl]-6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxypyridine.
What is the SMILES notation for 3-[(2,6-dichlorophenoxy)methyl]-6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxypyridine?
The canonical SMILES for 3-[(2,6-dichlorophenoxy)methyl]-6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxypyridine is CCc1cccc(CC)c1-c1cc(OC(C)C)c(COc2c(Cl)cccc2Cl)c(C)n1.
What is the InChIKey of 3-[(2,6-dichlorophenoxy)methyl]-6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxypyridine?
The InChIKey is NJVYSVQRYVSOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29Cl2NO2/c1-6-18-10-8-11-19(7-2)25(18)23-14-24(31-16(3)4)20(17(5)29-23)15-30-26-21(27)12-9-13-22(26)28/h8-14,16H,6-7,15H2,1-5H3.
What are the key properties of 3-[(2,6-dichlorophenoxy)methyl]-6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxypyridine?
3-[(2,6-dichlorophenoxy)methyl]-6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxypyridine has a molecular weight of 458.43 g/mol, XLogP of 7.85, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichlorophenoxy)methyl]-6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxypyridine is sourced from PubChem (CID 66994471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).