3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one

C23H37NO3 — CID 24820014

IUPAC3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
SMILESCC1CN(C(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC(C)O1
InChIInChI=1S/C23H37NO3/c1-15-13-24(14-16(2)27-15)20(25)10-9-17-11-18(22(3,4)5)21(26)19(12-17)23(6,7)8/h11-12,15-16,26H,9-10,13-14H2,1-8H3
InChIKeyGVANIWCNBNNUOR-UHFFFAOYSA-N
MW375.55 g/mol
LogP4.56
Rot. Bonds3

About 3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one

3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one (PubChem CID 24820014) has the molecular formula C23H37NO3 and a molecular weight of 375.55 g/mol. Its IUPAC name is 3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
PubChem CID24820014
Molecular FormulaC23H37NO3
Molecular Weight375.55 g/mol
Exact Mass375.28
IUPAC Name3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
SMILESCC1CN(C(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC(C)O1
InChIInChI=1S/C23H37NO3/c1-15-13-24(14-16(2)27-15)20(25)10-9-17-11-18(22(3,4)5)21(26)19(12-17)23(6,7)8/h11-12,15-16,26H,9-10,13-14H2,1-8H3
InChIKeyGVANIWCNBNNUOR-UHFFFAOYSA-N
XLogP4.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.55
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The IUPAC name of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one (CID 24820014) is 3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one is CC1CN(C(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC(C)O1.
What is the InChIKey of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The InChIKey is GVANIWCNBNNUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NO3/c1-15-13-24(14-16(2)27-15)20(25)10-9-17-11-18(22(3,4)5)21(26)19(12-17)23(6,7)8/h11-12,15-16,26H,9-10,13-14H2,1-8H3.
What are the key properties of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one has a molecular weight of 375.55 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 24820014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).