4-tert-butyl-2-[[(1S,2R)-2-hydroxy-1,2-diphenylethyl]iminomethyl]phenol

C25H27NO2 — CID 135512991

IUPAC4-tert-butyl-2-[[(1S,2R)-2-hydroxy-1,2-diphenylethyl]iminomethyl]phenol
SMILESCC(C)(C)c1ccc(O)c(/C=N/[C@@H](c2ccccc2)[C@H](O)c2ccccc2)c1
InChIInChI=1S/C25H27NO2/c1-25(2,3)21-14-15-22(27)20(16-21)17-26-23(18-10-6-4-7-11-18)24(28)19-12-8-5-9-13-19/h4-17,23-24,27-28H,1-3H3/b26-17+/t23-,24+/m0/s1
InChIKeyWEWTXAJHOLGCPU-DMBFUDIBSA-N
MW373.50 g/mol
LogP5.58
Rot. Bonds5

About 4-tert-butyl-2-[[(1S,2R)-2-hydroxy-1,2-diphenylethyl]iminomethyl]phenol

4-tert-butyl-2-[[(1S,2R)-2-hydroxy-1,2-diphenylethyl]iminomethyl]phenol (PubChem CID 135512991) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 4-tert-butyl-2-[[(1S,2R)-2-hydroxy-1,2-diphenylethyl]iminomethyl]phenol.

Molecular Properties

Compound Name4-tert-butyl-2-[[(1S,2R)-2-hydroxy-1,2-diphenylethyl]iminomethyl]phenol
PubChem CID135512991
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Name4-tert-butyl-2-[[(1S,2R)-2-hydroxy-1,2-diphenylethyl]iminomethyl]phenol
SMILESCC(C)(C)c1ccc(O)c(/C=N/[C@@H](c2ccccc2)[C@H](O)c2ccccc2)c1
InChIInChI=1S/C25H27NO2/c1-25(2,3)21-14-15-22(27)20(16-21)17-26-23(18-10-6-4-7-11-18)24(28)19-12-8-5-9-13-19/h4-17,23-24,27-28H,1-3H3/b26-17+/t23-,24+/m0/s1
InChIKeyWEWTXAJHOLGCPU-DMBFUDIBSA-N
XLogP5.58
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.58
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

2,4-ditert-butyl-6-[(2-hydroxy-1,2-diphenylethyl)iminomethyl]phenol
CID 135588587
4-[[(1R,2S)-2-hydroxy-1,2-diphenylethyl]iminomethyl]benzene-1,3-diol
CID 136694888
2-[[(1S,2S)-2-[(2-hydroxy-5-methylphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]-4-methylphenol
CID 136866110
2-(1-adamantyl)-4-tert-butyl-6-[[(1S,2R)-2-hydroxy-1,2-diphenylethyl]iminomethyl]phenol
CID 135466375
2-[(1-hydroxy-1-phenylpropan-2-yl)iminomethyl]-4-methylphenol
CID 136861223
4-tert-butyl-2-[(phenylhydrazinylidene)methyl]phenol
CID 169381697
2-[[(1S,2R)-2-hydroxy-1,2-diphenylethyl]iminomethyl]-4-[[4-hydroxy-3-[[(1S,2R)-2-hydroxy-1,2-diphenylethyl]iminomethyl]-5-methylphenyl]methyl]-6-methylphenol
CID 136688364
2-[[1-[(2-hydroxyphenyl)methylideneamino]-1-phenylpropan-2-yl]iminomethyl]phenol
CID 154704907
2-[(1-hydroxy-1-phenylpropan-2-yl)iminomethyl]-4-methoxyphenol
CID 136861221
2-(benzhydryliminomethyl)-4,6-ditert-butylphenol
CID 135516520
2-tert-butyl-6-[[(1R,2R)-2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenol;oxomanganese
CID 139264727
2-[[(1R,2S)-1,2-bis(3-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]iminomethyl]phenol
CID 135431645

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[[(1S,2R)-2-hydroxy-1,2-diphenylethyl]iminomethyl]phenol?
The IUPAC name of 4-tert-butyl-2-[[(1S,2R)-2-hydroxy-1,2-diphenylethyl]iminomethyl]phenol (CID 135512991) is 4-tert-butyl-2-[[(1S,2R)-2-hydroxy-1,2-diphenylethyl]iminomethyl]phenol.
What is the SMILES notation for 4-tert-butyl-2-[[(1S,2R)-2-hydroxy-1,2-diphenylethyl]iminomethyl]phenol?
The canonical SMILES for 4-tert-butyl-2-[[(1S,2R)-2-hydroxy-1,2-diphenylethyl]iminomethyl]phenol is CC(C)(C)c1ccc(O)c(/C=N/[C@@H](c2ccccc2)[C@H](O)c2ccccc2)c1.
What is the InChIKey of 4-tert-butyl-2-[[(1S,2R)-2-hydroxy-1,2-diphenylethyl]iminomethyl]phenol?
The InChIKey is WEWTXAJHOLGCPU-DMBFUDIBSA-N. The full InChI is InChI=1S/C25H27NO2/c1-25(2,3)21-14-15-22(27)20(16-21)17-26-23(18-10-6-4-7-11-18)24(28)19-12-8-5-9-13-19/h4-17,23-24,27-28H,1-3H3/b26-17+/t23-,24+/m0/s1.
What are the key properties of 4-tert-butyl-2-[[(1S,2R)-2-hydroxy-1,2-diphenylethyl]iminomethyl]phenol?
4-tert-butyl-2-[[(1S,2R)-2-hydroxy-1,2-diphenylethyl]iminomethyl]phenol has a molecular weight of 373.50 g/mol, XLogP of 5.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[[(1S,2R)-2-hydroxy-1,2-diphenylethyl]iminomethyl]phenol is sourced from PubChem (CID 135512991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).