2,3-ditert-butyl-6-[(1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]phenol

C21H35NO2 — CID 141285234

IUPAC2,3-ditert-butyl-6-[(1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]phenol
SMILESCC(C)(C)c1ccc(/C=N/C(CO)C(C)(C)C)c(O)c1C(C)(C)C
InChIInChI=1S/C21H35NO2/c1-19(2,3)15-11-10-14(18(24)17(15)21(7,8)9)12-22-16(13-23)20(4,5)6/h10-12,16,23-24H,13H2,1-9H3/b22-12+
InChIKeyVKLPSANCRNWFBF-WSDLNYQXSA-N
MW333.52 g/mol
LogP4.81
Rot. Bonds3

About 2,3-ditert-butyl-6-[(1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]phenol

2,3-ditert-butyl-6-[(1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]phenol (PubChem CID 141285234) has the molecular formula C21H35NO2 and a molecular weight of 333.52 g/mol. Its IUPAC name is 2,3-ditert-butyl-6-[(1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]phenol.

Molecular Properties

Compound Name2,3-ditert-butyl-6-[(1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]phenol
PubChem CID141285234
Molecular FormulaC21H35NO2
Molecular Weight333.52 g/mol
Exact Mass333.27
IUPAC Name2,3-ditert-butyl-6-[(1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]phenol
SMILESCC(C)(C)c1ccc(/C=N/C(CO)C(C)(C)C)c(O)c1C(C)(C)C
InChIInChI=1S/C21H35NO2/c1-19(2,3)15-11-10-14(18(24)17(15)21(7,8)9)12-22-16(13-23)20(4,5)6/h10-12,16,23-24H,13H2,1-9H3/b22-12+
InChIKeyVKLPSANCRNWFBF-WSDLNYQXSA-N
XLogP4.81
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-6-[(1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]-4-methylphenol
CID 137060299
(2R)-2-[[6-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]iminomethyl]-2-pyridinyl]methylideneamino]-3,3-dimethylbutan-1-ol
CID 2818120
CID 135424866
CID 135424866
2,3-ditert-butyl-6-sulfanylphenol
CID 19391852
2,3-ditert-butyl-6-(chloromethyl)phenol
CID 141290648
2-tert-butyl-4-methyl-6-(propan-2-yliminomethyl)phenol
CID 135995158
(2S)-2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-N,N,3-trimethylbutanamide
CID 137015289
2-tert-butyl-6-[[(1R,2R)-2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenol;oxomanganese
CID 139264727
2,4-ditert-butyl-6-[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol
CID 136814344
2,3-ditert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol
CID 19611890
2-tert-butyl-6-[[(2S)-2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-4-methylsulfanylbutyl]iminomethyl]phenol
CID 135507674
N-tert-butyl-1-(2,4-ditert-butyl-3-hydroxyphenyl)methanimine oxide
CID 6294788

Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butyl-6-[(1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]phenol?
The IUPAC name of 2,3-ditert-butyl-6-[(1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]phenol (CID 141285234) is 2,3-ditert-butyl-6-[(1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]phenol.
What is the SMILES notation for 2,3-ditert-butyl-6-[(1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]phenol?
The canonical SMILES for 2,3-ditert-butyl-6-[(1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]phenol is CC(C)(C)c1ccc(/C=N/C(CO)C(C)(C)C)c(O)c1C(C)(C)C.
What is the InChIKey of 2,3-ditert-butyl-6-[(1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]phenol?
The InChIKey is VKLPSANCRNWFBF-WSDLNYQXSA-N. The full InChI is InChI=1S/C21H35NO2/c1-19(2,3)15-11-10-14(18(24)17(15)21(7,8)9)12-22-16(13-23)20(4,5)6/h10-12,16,23-24H,13H2,1-9H3/b22-12+.
What are the key properties of 2,3-ditert-butyl-6-[(1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]phenol?
2,3-ditert-butyl-6-[(1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]phenol has a molecular weight of 333.52 g/mol, XLogP of 4.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butyl-6-[(1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]phenol is sourced from PubChem (CID 141285234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).