4-fluoro-2-[[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]iminomethyl]phenol

C24H24FNO2 — CID 139174295

IUPAC4-fluoro-2-[[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]iminomethyl]phenol
SMILESCC(C)[C@H](/N=C/c1cc(F)ccc1O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24FNO2/c1-17(2)23(26-16-18-15-21(25)13-14-22(18)27)24(28,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-17,23,27-28H,1-2H3/b26-16+/t23-/m0/s1
InChIKeyDZHZTJXBXRUMCG-LRULAXNGSA-N
MW377.46 g/mol
LogP4.91
Rot. Bonds6

About 4-fluoro-2-[[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]iminomethyl]phenol

4-fluoro-2-[[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]iminomethyl]phenol (PubChem CID 139174295) has the molecular formula C24H24FNO2 and a molecular weight of 377.46 g/mol. Its IUPAC name is 4-fluoro-2-[[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]iminomethyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]iminomethyl]phenol
PubChem CID139174295
Molecular FormulaC24H24FNO2
Molecular Weight377.46 g/mol
Exact Mass377.18
IUPAC Name4-fluoro-2-[[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]iminomethyl]phenol
SMILESCC(C)[C@H](/N=C/c1cc(F)ccc1O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24FNO2/c1-17(2)23(26-16-18-15-21(25)13-14-22(18)27)24(28,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-17,23,27-28H,1-2H3/b26-16+/t23-/m0/s1
InChIKeyDZHZTJXBXRUMCG-LRULAXNGSA-N
XLogP4.91
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 54.91
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

N,N'-Disalicylidene-1,2-propanediamine
CID 7210
Phenol, 2,2'-[1,6-hexanediylbis(nitrilomethylidyne)]bis-
CID 260228
Phenol, 2,2'-[1,2-cyclohexanediylbis(nitrilomethylidyne)]bis-
CID 115824
N,N'-bis(2-hydroxybenzylidene)pentane-1,5-diamine
CID 2318645
Nsc137035
CID 282925
Alpha-(phenethylimino)-O-cresol
CID 4415791
2-{(E)-[(1-phenylethyl)imino]methyl}phenol
CID 98125
2-{[(2-Hydroxy-1,2-diphenylethyl)imino]methyl}phenol
CID 135401385
2-[N-(2-{[1-(2-hydroxyphenyl)ethylidene]amino}cyclohexyl)ethanimidoyl]phenol
CID 135401438
(E)-4-Fluoro-2-[(4-hydroxyphenethyl)iminomethyl]phenol
CID 135908095
2-(Cyclohexyliminomethyl)-4-fluorophenol
CID 135912308
2-(Cyclohexylmethyliminomethyl)-4-fluorophenol
CID 135912309

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]iminomethyl]phenol?
The IUPAC name of 4-fluoro-2-[[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]iminomethyl]phenol (CID 139174295) is 4-fluoro-2-[[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]iminomethyl]phenol.
What is the SMILES notation for 4-fluoro-2-[[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]iminomethyl]phenol?
The canonical SMILES for 4-fluoro-2-[[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]iminomethyl]phenol is CC(C)[C@H](/N=C/c1cc(F)ccc1O)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-fluoro-2-[[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]iminomethyl]phenol?
The InChIKey is DZHZTJXBXRUMCG-LRULAXNGSA-N. The full InChI is InChI=1S/C24H24FNO2/c1-17(2)23(26-16-18-15-21(25)13-14-22(18)27)24(28,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-17,23,27-28H,1-2H3/b26-16+/t23-/m0/s1.
What are the key properties of 4-fluoro-2-[[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]iminomethyl]phenol?
4-fluoro-2-[[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]iminomethyl]phenol has a molecular weight of 377.46 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]iminomethyl]phenol is sourced from PubChem (CID 139174295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).