2,6-ditert-butyl-4-[(3-hydroxyphenyl)-morpholin-4-ylmethyl]phenol

C25H35NO3 — CID 4114801

IUPAC2,6-ditert-butyl-4-[(3-hydroxyphenyl)-morpholin-4-ylmethyl]phenol
SMILESCC(C)(C)c1cc(C(c2cccc(O)c2)N2CCOCC2)cc(C(C)(C)C)c1O
InChIInChI=1S/C25H35NO3/c1-24(2,3)20-15-18(16-21(23(20)28)25(4,5)6)22(26-10-12-29-13-11-26)17-8-7-9-19(27)14-17/h7-9,14-16,22,27-28H,10-13H2,1-6H3
InChIKeyLPIISVIFPAJATA-UHFFFAOYSA-N
MW397.56 g/mol
LogP5.11
Rot. Bonds3

About 2,6-ditert-butyl-4-[(3-hydroxyphenyl)-morpholin-4-ylmethyl]phenol

2,6-ditert-butyl-4-[(3-hydroxyphenyl)-morpholin-4-ylmethyl]phenol (PubChem CID 4114801) has the molecular formula C25H35NO3 and a molecular weight of 397.56 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[(3-hydroxyphenyl)-morpholin-4-ylmethyl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[(3-hydroxyphenyl)-morpholin-4-ylmethyl]phenol
PubChem CID4114801
Molecular FormulaC25H35NO3
Molecular Weight397.56 g/mol
Exact Mass397.26
IUPAC Name2,6-ditert-butyl-4-[(3-hydroxyphenyl)-morpholin-4-ylmethyl]phenol
SMILESCC(C)(C)c1cc(C(c2cccc(O)c2)N2CCOCC2)cc(C(C)(C)C)c1O
InChIInChI=1S/C25H35NO3/c1-24(2,3)20-15-18(16-21(23(20)28)25(4,5)6)22(26-10-12-29-13-11-26)17-8-7-9-19(27)14-17/h7-9,14-16,22,27-28H,10-13H2,1-6H3
InChIKeyLPIISVIFPAJATA-UHFFFAOYSA-N
XLogP5.11
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.56
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,6-ditert-butyl-4-[(3-hydroxyphenyl)-morpholin-4-ylmethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[(3-hydroxyphenyl)-morpholin-4-ylmethyl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[(3-hydroxyphenyl)-morpholin-4-ylmethyl]phenol (CID 4114801) is 2,6-ditert-butyl-4-[(3-hydroxyphenyl)-morpholin-4-ylmethyl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[(3-hydroxyphenyl)-morpholin-4-ylmethyl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[(3-hydroxyphenyl)-morpholin-4-ylmethyl]phenol is CC(C)(C)c1cc(C(c2cccc(O)c2)N2CCOCC2)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,6-ditert-butyl-4-[(3-hydroxyphenyl)-morpholin-4-ylmethyl]phenol?
The InChIKey is LPIISVIFPAJATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO3/c1-24(2,3)20-15-18(16-21(23(20)28)25(4,5)6)22(26-10-12-29-13-11-26)17-8-7-9-19(27)14-17/h7-9,14-16,22,27-28H,10-13H2,1-6H3.
What are the key properties of 2,6-ditert-butyl-4-[(3-hydroxyphenyl)-morpholin-4-ylmethyl]phenol?
2,6-ditert-butyl-4-[(3-hydroxyphenyl)-morpholin-4-ylmethyl]phenol has a molecular weight of 397.56 g/mol, XLogP of 5.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[(3-hydroxyphenyl)-morpholin-4-ylmethyl]phenol is sourced from PubChem (CID 4114801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).