2,6-ditert-butyl-4-[cyclohexyloxy(pyridin-2-yl)methyl]phenol

C26H37NO2 — CID 155520182

IUPAC2,6-ditert-butyl-4-[cyclohexyloxy(pyridin-2-yl)methyl]phenol
SMILESCC(C)(C)c1cc(C(OC2CCCCC2)c2ccccn2)cc(C(C)(C)C)c1O
InChIInChI=1S/C26H37NO2/c1-25(2,3)20-16-18(17-21(23(20)28)26(4,5)6)24(22-14-10-11-15-27-22)29-19-12-8-7-9-13-19/h10-11,14-17,19,24,28H,7-9,12-13H2,1-6H3
InChIKeyROVTVZMXAADNHD-UHFFFAOYSA-N
MW395.59 g/mol
LogP6.82
Rot. Bonds4

About 2,6-ditert-butyl-4-[cyclohexyloxy(pyridin-2-yl)methyl]phenol

2,6-ditert-butyl-4-[cyclohexyloxy(pyridin-2-yl)methyl]phenol (PubChem CID 155520182) has the molecular formula C26H37NO2 and a molecular weight of 395.59 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[cyclohexyloxy(pyridin-2-yl)methyl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[cyclohexyloxy(pyridin-2-yl)methyl]phenol
PubChem CID155520182
Molecular FormulaC26H37NO2
Molecular Weight395.59 g/mol
Exact Mass395.28
IUPAC Name2,6-ditert-butyl-4-[cyclohexyloxy(pyridin-2-yl)methyl]phenol
SMILESCC(C)(C)c1cc(C(OC2CCCCC2)c2ccccn2)cc(C(C)(C)C)c1O
InChIInChI=1S/C26H37NO2/c1-25(2,3)20-16-18(17-21(23(20)28)26(4,5)6)24(22-14-10-11-15-27-22)29-19-12-8-7-9-13-19/h10-11,14-17,19,24,28H,7-9,12-13H2,1-6H3
InChIKeyROVTVZMXAADNHD-UHFFFAOYSA-N
XLogP6.82
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.59
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[cyclohexyloxy(pyridin-2-yl)methyl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[cyclohexyloxy(pyridin-2-yl)methyl]phenol (CID 155520182) is 2,6-ditert-butyl-4-[cyclohexyloxy(pyridin-2-yl)methyl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[cyclohexyloxy(pyridin-2-yl)methyl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[cyclohexyloxy(pyridin-2-yl)methyl]phenol is CC(C)(C)c1cc(C(OC2CCCCC2)c2ccccn2)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,6-ditert-butyl-4-[cyclohexyloxy(pyridin-2-yl)methyl]phenol?
The InChIKey is ROVTVZMXAADNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37NO2/c1-25(2,3)20-16-18(17-21(23(20)28)26(4,5)6)24(22-14-10-11-15-27-22)29-19-12-8-7-9-13-19/h10-11,14-17,19,24,28H,7-9,12-13H2,1-6H3.
What are the key properties of 2,6-ditert-butyl-4-[cyclohexyloxy(pyridin-2-yl)methyl]phenol?
2,6-ditert-butyl-4-[cyclohexyloxy(pyridin-2-yl)methyl]phenol has a molecular weight of 395.59 g/mol, XLogP of 6.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[cyclohexyloxy(pyridin-2-yl)methyl]phenol is sourced from PubChem (CID 155520182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).