2,4-ditert-butyl-6-[(2R,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenol

C25H35NO2 — CID 102275565

IUPAC2,4-ditert-butyl-6-[(2R,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenol
SMILESC[C@H]1[C@@H](c2ccccc2)O[C@H](c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)N1C
InChIInChI=1S/C25H35NO2/c1-16-22(17-12-10-9-11-13-17)28-23(26(16)8)19-14-18(24(2,3)4)15-20(21(19)27)25(5,6)7/h9-16,22-23,27H,1-8H3/t16-,22-,23+/m0/s1
InChIKeyTUACIFAJLVRWIZ-IRBZQWRBSA-N
MW381.56 g/mol
LogP6.08
Rot. Bonds2

About 2,4-ditert-butyl-6-[(2R,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenol

2,4-ditert-butyl-6-[(2R,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenol (PubChem CID 102275565) has the molecular formula C25H35NO2 and a molecular weight of 381.56 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[(2R,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[(2R,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenol
PubChem CID102275565
Molecular FormulaC25H35NO2
Molecular Weight381.56 g/mol
Exact Mass381.27
IUPAC Name2,4-ditert-butyl-6-[(2R,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenol
SMILESC[C@H]1[C@@H](c2ccccc2)O[C@H](c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)N1C
InChIInChI=1S/C25H35NO2/c1-16-22(17-12-10-9-11-13-17)28-23(26(16)8)19-14-18(24(2,3)4)15-20(21(19)27)25(5,6)7/h9-16,22-23,27H,1-8H3/t16-,22-,23+/m0/s1
InChIKeyTUACIFAJLVRWIZ-IRBZQWRBSA-N
XLogP6.08
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.56
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(2R,4R,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenol
CID 932898
4-bromo-2-[(2S,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenol
CID 26415005
(2S,4S,5S)-2-(2-bromophenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine
CID 57282444
2,4-ditert-butyl-6-(1-hydroxy-1-phenylethyl)phenol
CID 91693696
2,4-ditert-butyl-6-(9H-fluoren-9-yl)phenol;titanium;dihydrochloride
CID 87486951
2,4-ditert-butyl-6-(1,3-dioxolan-2-yl)phenol
CID 170873937
2,4-ditert-butyl-6-phenylsulfanylphenol
CID 12058921
(2S,4S,5R)-2-(1H-imidazol-2-yl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine
CID 100919390
4-[4-[(2S,4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenyl]morpholine
CID 125027394
2,4-ditert-butyl-6-phenylphenol;titanium
CID 175919247
2-[(4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]ethanol
CID 102331412
benzene;2,6-ditert-butyl-4-phenylphenol
CID 175516792

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[(2R,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[(2R,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenol (CID 102275565) is 2,4-ditert-butyl-6-[(2R,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[(2R,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[(2R,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenol is C[C@H]1[C@@H](c2ccccc2)O[C@H](c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)N1C.
What is the InChIKey of 2,4-ditert-butyl-6-[(2R,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenol?
The InChIKey is TUACIFAJLVRWIZ-IRBZQWRBSA-N. The full InChI is InChI=1S/C25H35NO2/c1-16-22(17-12-10-9-11-13-17)28-23(26(16)8)19-14-18(24(2,3)4)15-20(21(19)27)25(5,6)7/h9-16,22-23,27H,1-8H3/t16-,22-,23+/m0/s1.
What are the key properties of 2,4-ditert-butyl-6-[(2R,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenol?
2,4-ditert-butyl-6-[(2R,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenol has a molecular weight of 381.56 g/mol, XLogP of 6.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[(2R,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenol is sourced from PubChem (CID 102275565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).