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

C28H24FNO2 — CID 139174296

IUPAC4-fluoro-2-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]phenol
SMILESOc1ccc(F)cc1/C=N/[C@@H](Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H24FNO2/c29-25-16-17-26(31)22(19-25)20-30-27(18-21-10-4-1-5-11-21)28(32,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-17,19-20,27,31-32H,18H2/b30-20+/t27-/m0/s1
InChIKeyRZECIOAYDBGYRS-QNBFMKIVSA-N
MW425.50 g/mol
LogP5.50
Rot. Bonds7

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

4-fluoro-2-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]phenol (PubChem CID 139174296) has the molecular formula C28H24FNO2 and a molecular weight of 425.50 g/mol. Its IUPAC name is 4-fluoro-2-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]phenol
PubChem CID139174296
Molecular FormulaC28H24FNO2
Molecular Weight425.50 g/mol
Exact Mass425.18
IUPAC Name4-fluoro-2-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]phenol
SMILESOc1ccc(F)cc1/C=N/[C@@H](Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H24FNO2/c29-25-16-17-26(31)22(19-25)20-30-27(18-21-10-4-1-5-11-21)28(32,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-17,19-20,27,31-32H,18H2/b30-20+/t27-/m0/s1
InChIKeyRZECIOAYDBGYRS-QNBFMKIVSA-N
XLogP5.50
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.50
LogP ≤ 55.50
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

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
N,N'-Bis(2-hydroxy-alpha-phenylbenzylidene)ethylenediamine
CID 614122
2-{[(2-Hydroxy-1,2-diphenylethyl)imino]methyl}phenol
CID 135401385
(E)-4-Fluoro-2-[(4-hydroxyphenethyl)iminomethyl]phenol
CID 135908095
2-(Cyclohexyliminomethyl)-4-fluorophenol
CID 135912308
2-(Cyclohexylmethyliminomethyl)-4-fluorophenol
CID 135912309
2-[[(1R,2S)-1,2-bis(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]iminomethyl]phenol
CID 135442714
2-(Cyclohexyliminomethyl)-6-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 135966048
2-[[(1R)-1-(4-fluorophenyl)ethyl]iminomethyl]phenol
CID 136062281

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]phenol?
The IUPAC name of 4-fluoro-2-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]phenol (CID 139174296) is 4-fluoro-2-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]phenol.
What is the SMILES notation for 4-fluoro-2-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]phenol?
The canonical SMILES for 4-fluoro-2-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]phenol is Oc1ccc(F)cc1/C=N/[C@@H](Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-fluoro-2-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]phenol?
The InChIKey is RZECIOAYDBGYRS-QNBFMKIVSA-N. The full InChI is InChI=1S/C28H24FNO2/c29-25-16-17-26(31)22(19-25)20-30-27(18-21-10-4-1-5-11-21)28(32,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-17,19-20,27,31-32H,18H2/b30-20+/t27-/m0/s1.
What are the key properties of 4-fluoro-2-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]phenol?
4-fluoro-2-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]phenol has a molecular weight of 425.50 g/mol, XLogP of 5.50, 7 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-1,1,3-triphenylpropan-2-yl]iminomethyl]phenol is sourced from PubChem (CID 139174296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).