copper;2-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]-6-methylphenol

C29H27CuNO2 — CID 137309253

IUPACcopper;2-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]-6-methylphenol
SMILESCc1cccc(/C=N\[C@@H](Cc2ccccc2)C(O)(c2ccccc2)c2ccccc2)c1O.[Cu]
InChIInChI=1S/C29H27NO2.Cu/c1-22-12-11-15-24(28(22)31)21-30-27(20-23-13-5-2-6-14-23)29(32,25-16-7-3-8-17-25)26-18-9-4-10-19-26;/h2-19,21,27,31-32H,20H2,1H3;/b30-21-;/t27-;/m0./s1
InChIKeyRNDNFVFMKHZLQU-NWGNKYDOSA-N
MW485.09 g/mol
LogP5.66
Rot. Bonds7

About copper;2-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]-6-methylphenol

copper;2-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]-6-methylphenol (PubChem CID 137309253) has the molecular formula C29H27CuNO2 and a molecular weight of 485.09 g/mol. Its IUPAC name is copper;2-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]-6-methylphenol.

Molecular Properties

Compound Namecopper;2-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]-6-methylphenol
PubChem CID137309253
Molecular FormulaC29H27CuNO2
Molecular Weight485.09 g/mol
Exact Mass484.13
IUPAC Namecopper;2-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]-6-methylphenol
SMILESCc1cccc(/C=N\[C@@H](Cc2ccccc2)C(O)(c2ccccc2)c2ccccc2)c1O.[Cu]
InChIInChI=1S/C29H27NO2.Cu/c1-22-12-11-15-24(28(22)31)21-30-27(20-23-13-5-2-6-14-23)29(32,25-16-7-3-8-17-25)26-18-9-4-10-19-26;/h2-19,21,27,31-32H,20H2,1H3;/b30-21-;/t27-;/m0./s1
InChIKeyRNDNFVFMKHZLQU-NWGNKYDOSA-N
XLogP5.66
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.09
LogP ≤ 55.66
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'-Bis(2-hydroxy-alpha-phenylbenzylidene)ethylenediamine
CID 614122
2-{[(2-Hydroxy-1,2-diphenylethyl)imino]methyl}phenol
CID 135401385
2-[N-[[3-[[1-(2-hydroxyphenyl)ethylideneamino]methyl]phenyl]methyl]-C-methylcarbonimidoyl]phenol
CID 2731176
2-[[(1R,2S)-1,2-bis(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]iminomethyl]phenol
CID 135442714
2-(Hexyliminomethyl)-6-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 135965975
2-(Cyclohexyliminomethyl)-6-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 135966048
2-[[(1R,2S)-1,2-bis(4-fluorophenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]iminomethyl]phenol
CID 136490857
4-fluoro-2-[[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]iminomethyl]phenol
CID 139174295
4-fluoro-2-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]phenol
CID 139174296
2-fluoro-6-[[(1R,2R)-2-[(3-fluoro-2-hydroxyphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenol
CID 139203853
4-Fluoro-2-({[(2R)-1-hydroxy-1,1,3-triphenylpropan-2-yl]imino}methyl)phenol
CID 168306979
2-[[1,2-Bis(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]iminomethyl]phenol
CID 2793842

Frequently Asked Questions

What is the IUPAC name of copper;2-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]-6-methylphenol?
The IUPAC name of copper;2-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]-6-methylphenol (CID 137309253) is copper;2-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]-6-methylphenol.
What is the SMILES notation for copper;2-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]-6-methylphenol?
The canonical SMILES for copper;2-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]-6-methylphenol is Cc1cccc(/C=N\[C@@H](Cc2ccccc2)C(O)(c2ccccc2)c2ccccc2)c1O.[Cu].
What is the InChIKey of copper;2-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]-6-methylphenol?
The InChIKey is RNDNFVFMKHZLQU-NWGNKYDOSA-N. The full InChI is InChI=1S/C29H27NO2.Cu/c1-22-12-11-15-24(28(22)31)21-30-27(20-23-13-5-2-6-14-23)29(32,25-16-7-3-8-17-25)26-18-9-4-10-19-26;/h2-19,21,27,31-32H,20H2,1H3;/b30-21-;/t27-;/m0./s1.
What are the key properties of copper;2-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]-6-methylphenol?
copper;2-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]-6-methylphenol has a molecular weight of 485.09 g/mol, XLogP of 5.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]-6-methylphenol is sourced from PubChem (CID 137309253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).