2,6-ditert-butyl-4-[(R)-morpholin-4-ium-4-yl(thiophen-2-yl)methyl]phenol

C23H34NO2S+ — CID 6972984

IUPAC2,6-ditert-butyl-4-[(R)-morpholin-4-ium-4-yl(thiophen-2-yl)methyl]phenol
SMILESCC(C)(C)c1cc([C@H](c2cccs2)[NH+]2CCOCC2)cc(C(C)(C)C)c1O
InChIInChI=1S/C23H33NO2S/c1-22(2,3)17-14-16(15-18(21(17)25)23(4,5)6)20(19-8-7-13-27-19)24-9-11-26-12-10-24/h7-8,13-15,20,25H,9-12H2,1-6H3/p+1/t20-/m1/s1
InChIKeyLSOCBNJQMCEICU-HXUWFJFHSA-O
MW388.60 g/mol
LogP4.05
Rot. Bonds3

About 2,6-ditert-butyl-4-[(R)-morpholin-4-ium-4-yl(thiophen-2-yl)methyl]phenol

2,6-ditert-butyl-4-[(R)-morpholin-4-ium-4-yl(thiophen-2-yl)methyl]phenol (PubChem CID 6972984) has the molecular formula C23H34NO2S+ and a molecular weight of 388.60 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[(R)-morpholin-4-ium-4-yl(thiophen-2-yl)methyl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[(R)-morpholin-4-ium-4-yl(thiophen-2-yl)methyl]phenol
PubChem CID6972984
Molecular FormulaC23H34NO2S+
Molecular Weight388.60 g/mol
Exact Mass388.23
IUPAC Name2,6-ditert-butyl-4-[(R)-morpholin-4-ium-4-yl(thiophen-2-yl)methyl]phenol
SMILESCC(C)(C)c1cc([C@H](c2cccs2)[NH+]2CCOCC2)cc(C(C)(C)C)c1O
InChIInChI=1S/C23H33NO2S/c1-22(2,3)17-14-16(15-18(21(17)25)23(4,5)6)20(19-8-7-13-27-19)24-9-11-26-12-10-24/h7-8,13-15,20,25H,9-12H2,1-6H3/p+1/t20-/m1/s1
InChIKeyLSOCBNJQMCEICU-HXUWFJFHSA-O
XLogP4.05
TPSA33.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.60
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[(R)-morpholin-4-ium-4-yl(thiophen-2-yl)methyl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[(R)-morpholin-4-ium-4-yl(thiophen-2-yl)methyl]phenol (CID 6972984) is 2,6-ditert-butyl-4-[(R)-morpholin-4-ium-4-yl(thiophen-2-yl)methyl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[(R)-morpholin-4-ium-4-yl(thiophen-2-yl)methyl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[(R)-morpholin-4-ium-4-yl(thiophen-2-yl)methyl]phenol is CC(C)(C)c1cc([C@H](c2cccs2)[NH+]2CCOCC2)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,6-ditert-butyl-4-[(R)-morpholin-4-ium-4-yl(thiophen-2-yl)methyl]phenol?
The InChIKey is LSOCBNJQMCEICU-HXUWFJFHSA-O. The full InChI is InChI=1S/C23H33NO2S/c1-22(2,3)17-14-16(15-18(21(17)25)23(4,5)6)20(19-8-7-13-27-19)24-9-11-26-12-10-24/h7-8,13-15,20,25H,9-12H2,1-6H3/p+1/t20-/m1/s1.
What are the key properties of 2,6-ditert-butyl-4-[(R)-morpholin-4-ium-4-yl(thiophen-2-yl)methyl]phenol?
2,6-ditert-butyl-4-[(R)-morpholin-4-ium-4-yl(thiophen-2-yl)methyl]phenol has a molecular weight of 388.60 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[(R)-morpholin-4-ium-4-yl(thiophen-2-yl)methyl]phenol is sourced from PubChem (CID 6972984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).