2-[(1-hydroxy-1,1-diphenylpropan-2-yl)iminomethyl]-6-methoxyphenol

C23H23NO3 — CID 140610697

IUPAC2-[(1-hydroxy-1,1-diphenylpropan-2-yl)iminomethyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/C(C)C(O)(c2ccccc2)c2ccccc2)c1O
InChIInChI=1S/C23H23NO3/c1-17(24-16-18-10-9-15-21(27-2)22(18)25)23(26,19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-17,25-26H,1-2H3/b24-16+
InChIKeyLHGHJOYXZRDPLI-LFVJCYFKSA-N
MW361.44 g/mol
LogP4.14
Rot. Bonds6

About 2-[(1-hydroxy-1,1-diphenylpropan-2-yl)iminomethyl]-6-methoxyphenol

2-[(1-hydroxy-1,1-diphenylpropan-2-yl)iminomethyl]-6-methoxyphenol (PubChem CID 140610697) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is 2-[(1-hydroxy-1,1-diphenylpropan-2-yl)iminomethyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[(1-hydroxy-1,1-diphenylpropan-2-yl)iminomethyl]-6-methoxyphenol
PubChem CID140610697
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name2-[(1-hydroxy-1,1-diphenylpropan-2-yl)iminomethyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/C(C)C(O)(c2ccccc2)c2ccccc2)c1O
InChIInChI=1S/C23H23NO3/c1-17(24-16-18-10-9-15-21(27-2)22(18)25)23(26,19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-17,25-26H,1-2H3/b24-16+
InChIKeyLHGHJOYXZRDPLI-LFVJCYFKSA-N
XLogP4.14
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-[[1-hydroxy-1,1-bis(2-methoxyphenyl)propan-2-yl]iminomethyl]phenol
CID 140610701
2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]iminomethyl]-6-methoxyphenol
CID 136861229
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163
copper;2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methylbutanoic acid;hydrate
CID 5255158
2-[(E)-hydroxyiminomethyl]-6-methoxyphenol
CID 135460299
2-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 177385575
2-methoxy-6-(methoxyiminomethyl)phenol
CID 530390
methyl (3S)-3-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylpropanoate
CID 135618382
[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-trimethylazanium iodide
CID 135534546
2-[[(2S)-1,1-bis(3,5-ditert-butylphenyl)-1-hydroxypropan-2-yl]iminomethyl]phenol
CID 136722731
3-[[(1R,2R)-2-[[2,3-dihydroxy-4-[(E)-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenyl]methylideneamino]-1,2-diphenylethyl]iminomethyl]-6-[(E)-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxyethoxyiminomethyl]benzene-1,2-diol
CID 177394773
methyl (2S)-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-methylpentanoate
CID 135597963

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-1,1-diphenylpropan-2-yl)iminomethyl]-6-methoxyphenol?
The IUPAC name of 2-[(1-hydroxy-1,1-diphenylpropan-2-yl)iminomethyl]-6-methoxyphenol (CID 140610697) is 2-[(1-hydroxy-1,1-diphenylpropan-2-yl)iminomethyl]-6-methoxyphenol.
What is the SMILES notation for 2-[(1-hydroxy-1,1-diphenylpropan-2-yl)iminomethyl]-6-methoxyphenol?
The canonical SMILES for 2-[(1-hydroxy-1,1-diphenylpropan-2-yl)iminomethyl]-6-methoxyphenol is COc1cccc(/C=N/C(C)C(O)(c2ccccc2)c2ccccc2)c1O.
What is the InChIKey of 2-[(1-hydroxy-1,1-diphenylpropan-2-yl)iminomethyl]-6-methoxyphenol?
The InChIKey is LHGHJOYXZRDPLI-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H23NO3/c1-17(24-16-18-10-9-15-21(27-2)22(18)25)23(26,19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-17,25-26H,1-2H3/b24-16+.
What are the key properties of 2-[(1-hydroxy-1,1-diphenylpropan-2-yl)iminomethyl]-6-methoxyphenol?
2-[(1-hydroxy-1,1-diphenylpropan-2-yl)iminomethyl]-6-methoxyphenol has a molecular weight of 361.44 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-1,1-diphenylpropan-2-yl)iminomethyl]-6-methoxyphenol is sourced from PubChem (CID 140610697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).