2-[(2,6-ditert-butylphenyl)iminomethyl]-4-fluoro-6-propan-2-ylphenol

C24H32FNO — CID 137282686

IUPAC2-[(2,6-ditert-butylphenyl)iminomethyl]-4-fluoro-6-propan-2-ylphenol
SMILESCC(C)c1cc(F)cc(/C=N/c2c(C(C)(C)C)cccc2C(C)(C)C)c1O
InChIInChI=1S/C24H32FNO/c1-15(2)18-13-17(25)12-16(22(18)27)14-26-21-19(23(3,4)5)10-9-11-20(21)24(6,7)8/h9-15,27H,1-8H3/b26-14+
InChIKeyYFMIYIFVXOJETB-VULFUBBASA-N
MW369.52 g/mol
LogP7.00
Rot. Bonds3

About 2-[(2,6-ditert-butylphenyl)iminomethyl]-4-fluoro-6-propan-2-ylphenol

2-[(2,6-ditert-butylphenyl)iminomethyl]-4-fluoro-6-propan-2-ylphenol (PubChem CID 137282686) has the molecular formula C24H32FNO and a molecular weight of 369.52 g/mol. Its IUPAC name is 2-[(2,6-ditert-butylphenyl)iminomethyl]-4-fluoro-6-propan-2-ylphenol.

Molecular Properties

Compound Name2-[(2,6-ditert-butylphenyl)iminomethyl]-4-fluoro-6-propan-2-ylphenol
PubChem CID137282686
Molecular FormulaC24H32FNO
Molecular Weight369.52 g/mol
Exact Mass369.25
IUPAC Name2-[(2,6-ditert-butylphenyl)iminomethyl]-4-fluoro-6-propan-2-ylphenol
SMILESCC(C)c1cc(F)cc(/C=N/c2c(C(C)(C)C)cccc2C(C)(C)C)c1O
InChIInChI=1S/C24H32FNO/c1-15(2)18-13-17(25)12-16(22(18)27)14-26-21-19(23(3,4)5)10-9-11-20(21)24(6,7)8/h9-15,27H,1-8H3/b26-14+
InChIKeyYFMIYIFVXOJETB-VULFUBBASA-N
XLogP7.00
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.52
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-methylphenol
CID 160938473
4-tert-butyl-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-[hydroxy(diphenyl)methyl]phenol
CID 136747675
2-tert-butyl-6-[(2-propan-2-ylphenyl)iminomethyl]phenol;titanium(2+);dichloride
CID 175088591
2-[[3-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]phenyl]iminomethyl]-4,6-di(propan-2-yl)phenol
CID 137163057
2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-2,4,6-trimethylphenyl]iminomethyl]phenol
CID 136835974
2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-[3-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-hydroxyphenyl]phenol
CID 135431783
2-tert-butyl-6-[[2,4,6-tris(pentafluoro-λ6-sulfanyl)phenyl]iminomethyl]phenol
CID 153465269
2-tert-butyl-6-[(2,3,4,5,6-pentafluorophenyl)iminomethyl]-4-tritylphenol
CID 137234453
3-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-1-[3-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
CID 136826646
bis(2-[1-(4-tert-butylphenyl)ethyl]-6-[(2,6-difluorophenyl)iminomethyl]phenol);dichlorotitanium
CID 166175408
cobalt(2+);2-[[8-[(2-hydroxy-5-methyl-3-propan-2-ylphenyl)methylideneamino]naphthalen-1-yl]iminomethyl]-4-methyl-6-propan-2-ylphenol;diacetate
CID 157073156
2-tert-butyl-6-[(2,6-dimethylphenyl)iminomethyl]-4-methoxyphenol
CID 137088814

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-ditert-butylphenyl)iminomethyl]-4-fluoro-6-propan-2-ylphenol?
The IUPAC name of 2-[(2,6-ditert-butylphenyl)iminomethyl]-4-fluoro-6-propan-2-ylphenol (CID 137282686) is 2-[(2,6-ditert-butylphenyl)iminomethyl]-4-fluoro-6-propan-2-ylphenol.
What is the SMILES notation for 2-[(2,6-ditert-butylphenyl)iminomethyl]-4-fluoro-6-propan-2-ylphenol?
The canonical SMILES for 2-[(2,6-ditert-butylphenyl)iminomethyl]-4-fluoro-6-propan-2-ylphenol is CC(C)c1cc(F)cc(/C=N/c2c(C(C)(C)C)cccc2C(C)(C)C)c1O.
What is the InChIKey of 2-[(2,6-ditert-butylphenyl)iminomethyl]-4-fluoro-6-propan-2-ylphenol?
The InChIKey is YFMIYIFVXOJETB-VULFUBBASA-N. The full InChI is InChI=1S/C24H32FNO/c1-15(2)18-13-17(25)12-16(22(18)27)14-26-21-19(23(3,4)5)10-9-11-20(21)24(6,7)8/h9-15,27H,1-8H3/b26-14+.
What are the key properties of 2-[(2,6-ditert-butylphenyl)iminomethyl]-4-fluoro-6-propan-2-ylphenol?
2-[(2,6-ditert-butylphenyl)iminomethyl]-4-fluoro-6-propan-2-ylphenol has a molecular weight of 369.52 g/mol, XLogP of 7.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-ditert-butylphenyl)iminomethyl]-4-fluoro-6-propan-2-ylphenol is sourced from PubChem (CID 137282686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).