6-(2,6-diethylphenyl)-3-[(3,5-dimethylphenoxy)methyl]-2-methyl-4-propan-2-yloxypyridine

C28H35NO2 — CID 66994470

IUPAC6-(2,6-diethylphenyl)-3-[(3,5-dimethylphenoxy)methyl]-2-methyl-4-propan-2-yloxypyridine
SMILESCCc1cccc(CC)c1-c1cc(OC(C)C)c(COc2cc(C)cc(C)c2)c(C)n1
InChIInChI=1S/C28H35NO2/c1-8-22-11-10-12-23(9-2)28(22)26-16-27(31-18(3)4)25(21(7)29-26)17-30-24-14-19(5)13-20(6)15-24/h10-16,18H,8-9,17H2,1-7H3
InChIKeyTUHMGQBBWFTVAP-UHFFFAOYSA-N
MW417.59 g/mol
LogP7.16
Rot. Bonds8

About 6-(2,6-diethylphenyl)-3-[(3,5-dimethylphenoxy)methyl]-2-methyl-4-propan-2-yloxypyridine

6-(2,6-diethylphenyl)-3-[(3,5-dimethylphenoxy)methyl]-2-methyl-4-propan-2-yloxypyridine (PubChem CID 66994470) has the molecular formula C28H35NO2 and a molecular weight of 417.59 g/mol. Its IUPAC name is 6-(2,6-diethylphenyl)-3-[(3,5-dimethylphenoxy)methyl]-2-methyl-4-propan-2-yloxypyridine.

Molecular Properties

Compound Name6-(2,6-diethylphenyl)-3-[(3,5-dimethylphenoxy)methyl]-2-methyl-4-propan-2-yloxypyridine
PubChem CID66994470
Molecular FormulaC28H35NO2
Molecular Weight417.59 g/mol
Exact Mass417.27
IUPAC Name6-(2,6-diethylphenyl)-3-[(3,5-dimethylphenoxy)methyl]-2-methyl-4-propan-2-yloxypyridine
SMILESCCc1cccc(CC)c1-c1cc(OC(C)C)c(COc2cc(C)cc(C)c2)c(C)n1
InChIInChI=1S/C28H35NO2/c1-8-22-11-10-12-23(9-2)28(22)26-16-27(31-18(3)4)25(21(7)29-26)17-30-24-14-19(5)13-20(6)15-24/h10-16,18H,8-9,17H2,1-7H3
InChIKeyTUHMGQBBWFTVAP-UHFFFAOYSA-N
XLogP7.16
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.59
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-diethylphenyl)-3-[(3,5-dimethylphenoxy)methyl]-2-methyl-4-propan-2-yloxypyridine?
The IUPAC name of 6-(2,6-diethylphenyl)-3-[(3,5-dimethylphenoxy)methyl]-2-methyl-4-propan-2-yloxypyridine (CID 66994470) is 6-(2,6-diethylphenyl)-3-[(3,5-dimethylphenoxy)methyl]-2-methyl-4-propan-2-yloxypyridine.
What is the SMILES notation for 6-(2,6-diethylphenyl)-3-[(3,5-dimethylphenoxy)methyl]-2-methyl-4-propan-2-yloxypyridine?
The canonical SMILES for 6-(2,6-diethylphenyl)-3-[(3,5-dimethylphenoxy)methyl]-2-methyl-4-propan-2-yloxypyridine is CCc1cccc(CC)c1-c1cc(OC(C)C)c(COc2cc(C)cc(C)c2)c(C)n1.
What is the InChIKey of 6-(2,6-diethylphenyl)-3-[(3,5-dimethylphenoxy)methyl]-2-methyl-4-propan-2-yloxypyridine?
The InChIKey is TUHMGQBBWFTVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35NO2/c1-8-22-11-10-12-23(9-2)28(22)26-16-27(31-18(3)4)25(21(7)29-26)17-30-24-14-19(5)13-20(6)15-24/h10-16,18H,8-9,17H2,1-7H3.
What are the key properties of 6-(2,6-diethylphenyl)-3-[(3,5-dimethylphenoxy)methyl]-2-methyl-4-propan-2-yloxypyridine?
6-(2,6-diethylphenyl)-3-[(3,5-dimethylphenoxy)methyl]-2-methyl-4-propan-2-yloxypyridine has a molecular weight of 417.59 g/mol, XLogP of 7.16, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-diethylphenyl)-3-[(3,5-dimethylphenoxy)methyl]-2-methyl-4-propan-2-yloxypyridine is sourced from PubChem (CID 66994470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).