2-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4,6-bis(2-phenylpropan-2-yl)phenol

C33H35NO2 — CID 136760092

IUPAC2-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4,6-bis(2-phenylpropan-2-yl)phenol
SMILESCC(C)(c1ccccc1)c1cc(/C=N/[C@@H](CO)c2ccccc2)c(O)c(C(C)(C)c2ccccc2)c1
InChIInChI=1S/C33H35NO2/c1-32(2,26-16-10-6-11-17-26)28-20-25(22-34-30(23-35)24-14-8-5-9-15-24)31(36)29(21-28)33(3,4)27-18-12-7-13-19-27/h5-22,30,35-36H,23H2,1-4H3/b34-22+/t30-/m0/s1
InChIKeyQSEDLGLIUUQZPK-QXNHYZTASA-N
MW477.65 g/mol
LogP7.20
Rot. Bonds8

About 2-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4,6-bis(2-phenylpropan-2-yl)phenol

2-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4,6-bis(2-phenylpropan-2-yl)phenol (PubChem CID 136760092) has the molecular formula C33H35NO2 and a molecular weight of 477.65 g/mol. Its IUPAC name is 2-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4,6-bis(2-phenylpropan-2-yl)phenol.

Molecular Properties

Compound Name2-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4,6-bis(2-phenylpropan-2-yl)phenol
PubChem CID136760092
Molecular FormulaC33H35NO2
Molecular Weight477.65 g/mol
Exact Mass477.27
IUPAC Name2-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4,6-bis(2-phenylpropan-2-yl)phenol
SMILESCC(C)(c1ccccc1)c1cc(/C=N/[C@@H](CO)c2ccccc2)c(O)c(C(C)(C)c2ccccc2)c1
InChIInChI=1S/C33H35NO2/c1-32(2,26-16-10-6-11-17-26)28-20-25(22-34-30(23-35)24-14-8-5-9-15-24)31(36)29(21-28)33(3,4)27-18-12-7-13-19-27/h5-22,30,35-36H,23H2,1-4H3/b34-22+/t30-/m0/s1
InChIKeyQSEDLGLIUUQZPK-QXNHYZTASA-N
XLogP7.20
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.65
LogP ≤ 57.20
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

2,6-bis[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4-methylphenol
CID 136883517
2-[1-(1-adamantyl)ethyliminomethyl]-4,6-bis(2-phenylpropan-2-yl)phenol
CID 137234439
2,4-bis(2-phenylpropan-2-yl)-6-[(2-propan-2-ylphenyl)iminomethyl]phenol
CID 136694058
2-(benzhydryliminomethyl)-4,6-ditert-butylphenol
CID 135516520
2-[[2-[[3,5-bis(2-phenylpropan-2-yl)phenyl]methylideneamino]phenyl]iminomethyl]-4,6-bis(2-phenylpropan-2-yl)phenol;methanol
CID 171500786
2,4-ditert-butyl-6-[(2-hydroxy-1,2-diphenylethyl)iminomethyl]phenol
CID 135588587
5-tert-butyl-2-hydroxy-3-(2-phenylpropan-2-yl)benzaldehyde
CID 86722291
2-(iodoiminomethyl)-4-methyl-6-(2-phenylpropan-2-yl)phenol
CID 173494309
2-[2-hydroxy-3,5-bis(2-phenylpropan-2-yl)phenyl]sulfonyl-4,6-bis(2-phenylpropan-2-yl)phenol
CID 71427223
2,4-bis(2-phenylpropan-2-yl)-6-(sulfanylmethyl)phenol
CID 89410298
2,4-ditert-butyl-6-[[(2R)-1-hydroxy-2-phenylpropan-2-yl]iminomethyl]phenol
CID 136693869
2,4-ditert-butyl-6-[[(1R,2R)-2-(1,3-dihydroisoindol-2-yl)-1,2-diphenylethyl]iminomethyl]phenol
CID 136880146

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4,6-bis(2-phenylpropan-2-yl)phenol?
The IUPAC name of 2-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4,6-bis(2-phenylpropan-2-yl)phenol (CID 136760092) is 2-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4,6-bis(2-phenylpropan-2-yl)phenol.
What is the SMILES notation for 2-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4,6-bis(2-phenylpropan-2-yl)phenol?
The canonical SMILES for 2-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4,6-bis(2-phenylpropan-2-yl)phenol is CC(C)(c1ccccc1)c1cc(/C=N/[C@@H](CO)c2ccccc2)c(O)c(C(C)(C)c2ccccc2)c1.
What is the InChIKey of 2-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4,6-bis(2-phenylpropan-2-yl)phenol?
The InChIKey is QSEDLGLIUUQZPK-QXNHYZTASA-N. The full InChI is InChI=1S/C33H35NO2/c1-32(2,26-16-10-6-11-17-26)28-20-25(22-34-30(23-35)24-14-8-5-9-15-24)31(36)29(21-28)33(3,4)27-18-12-7-13-19-27/h5-22,30,35-36H,23H2,1-4H3/b34-22+/t30-/m0/s1.
What are the key properties of 2-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4,6-bis(2-phenylpropan-2-yl)phenol?
2-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4,6-bis(2-phenylpropan-2-yl)phenol has a molecular weight of 477.65 g/mol, XLogP of 7.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4,6-bis(2-phenylpropan-2-yl)phenol is sourced from PubChem (CID 136760092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).