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

C21H35NO2 — CID 3537388

IUPAC2,6-ditert-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]phenol
SMILESCC1CN(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC(C)O1
InChIInChI=1S/C21H35NO2/c1-14-11-22(12-15(2)24-14)13-16-9-17(20(3,4)5)19(23)18(10-16)21(6,7)8/h9-10,14-15,23H,11-13H2,1-8H3
InChIKeyXFZPFGSKXCPGBO-UHFFFAOYSA-N
MW333.52 g/mol
LogP4.60
Rot. Bonds2

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

2,6-ditert-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]phenol (PubChem CID 3537388) has the molecular formula C21H35NO2 and a molecular weight of 333.52 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]phenol
PubChem CID3537388
Molecular FormulaC21H35NO2
Molecular Weight333.52 g/mol
Exact Mass333.27
IUPAC Name2,6-ditert-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]phenol
SMILESCC1CN(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC(C)O1
InChIInChI=1S/C21H35NO2/c1-14-11-22(12-15(2)24-14)13-16-9-17(20(3,4)5)19(23)18(10-16)21(6,7)8/h9-10,14-15,23H,11-13H2,1-8H3
InChIKeyXFZPFGSKXCPGBO-UHFFFAOYSA-N
XLogP4.60
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-ditert-butyl-4-[(4-methylpiperazin-1-yl)methyl]phenol
CID 751703
4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methoxyphenol
CID 104961912
N-[[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62438146
(2S,6R)-4-[(2-chloro-4-pyridinyl)methyl]-2,6-dimethylmorpholine
CID 103936707
(2S,6S)-2,6-dimethyl-4-[(3,4,5-trimethoxyphenyl)methyl]morpholine
CID 755065
(2S,6R)-4-[(3-bromophenyl)methyl]-2,6-dimethylmorpholine
CID 779466
2,6-ditert-butyl-4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenol
CID 7444975
2,6-ditert-butyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol
CID 2837847
2-tert-butyl-6-[[3-tert-butyl-2-hydroxy-5-(piperidin-1-ylmethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)phenol
CID 21053756
3-[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]propanoic acid
CID 84758606
N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]ethanamine
CID 104960940
1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 3650832

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]phenol (CID 3537388) is 2,6-ditert-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]phenol is CC1CN(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC(C)O1.
What is the InChIKey of 2,6-ditert-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]phenol?
The InChIKey is XFZPFGSKXCPGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO2/c1-14-11-22(12-15(2)24-14)13-16-9-17(20(3,4)5)19(23)18(10-16)21(6,7)8/h9-10,14-15,23H,11-13H2,1-8H3.
What are the key properties of 2,6-ditert-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]phenol?
2,6-ditert-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]phenol has a molecular weight of 333.52 g/mol, XLogP of 4.60, 2 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-[(2,6-dimethylmorpholin-4-yl)methyl]phenol is sourced from PubChem (CID 3537388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).