2-[(2,6-dimethylphenyl)iminomethyl]-6-phenylphenol

C21H19NO — CID 136690856

IUPAC2-[(2,6-dimethylphenyl)iminomethyl]-6-phenylphenol
SMILESCc1cccc(C)c1/N=C/c1cccc(-c2ccccc2)c1O
InChIInChI=1S/C21H19NO/c1-15-8-6-9-16(2)20(15)22-14-18-12-7-13-19(21(18)23)17-10-4-3-5-11-17/h3-14,23H,1-2H3/b22-14+
InChIKeyOCXXDBOUQBIWGM-HYARGMPZSA-N
MW301.39 g/mol
LogP5.43
Rot. Bonds3

About 2-[(2,6-dimethylphenyl)iminomethyl]-6-phenylphenol

2-[(2,6-dimethylphenyl)iminomethyl]-6-phenylphenol (PubChem CID 136690856) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[(2,6-dimethylphenyl)iminomethyl]-6-phenylphenol.

Molecular Properties

Compound Name2-[(2,6-dimethylphenyl)iminomethyl]-6-phenylphenol
PubChem CID136690856
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Name2-[(2,6-dimethylphenyl)iminomethyl]-6-phenylphenol
SMILESCc1cccc(C)c1/N=C/c1cccc(-c2ccccc2)c1O
InChIInChI=1S/C21H19NO/c1-15-8-6-9-16(2)20(15)22-14-18-12-7-13-19(21(18)23)17-10-4-3-5-11-17/h3-14,23H,1-2H3/b22-14+
InChIKeyOCXXDBOUQBIWGM-HYARGMPZSA-N
XLogP5.43
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.39
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(1,1-difluoroethyl)-2-methylphenyl]iminomethyl]-6-phenylphenol
CID 136968910
2-methyl-6-[[4-(4-phenylphenyl)phenyl]iminomethyl]phenol
CID 135997411
2-methyl-6-phenylphenol
CID 12592481
2-[(2-hydroxyphenyl)methylideneamino]-3-methylphenol
CID 584429
2-methyl-6-(naphthalen-2-yliminomethyl)phenol;2-methyl-6-[(2,4,6-triphenylphenyl)iminomethyl]phenol
CID 136654254
2-[(2-hydroxyphenyl)methylideneamino]-6-phenylphenol
CID 136888505
2-[(2,6-dimethylphenyl)iminomethyl]-6-ethoxyphenol
CID 135657455
2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-[3-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-hydroxyphenyl]phenol
CID 135431783
2-methyl-6-[(2-methyl-6-methylsulfanylphenyl)iminomethyl]phenol
CID 164862973
2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-(2-hydroxyphenyl)phenol
CID 136723302
pentakis(dibromotitanium);2-methyl-6-(naphthalen-1-yliminomethyl)phenol;bis(2-[(2-methylphenyl)iminomethyl]phenol);1-(naphthalen-1-yliminomethyl)naphthalen-2-ol;2-(naphthalen-1-yliminomethyl)-6-phenylphenol
CID 159734302
bis(dichlorotitanium);2-[(4-methoxyphenyl)iminomethyl]-6-phenylphenol;2-phenyl-6-[[4-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 158695131

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylphenyl)iminomethyl]-6-phenylphenol?
The IUPAC name of 2-[(2,6-dimethylphenyl)iminomethyl]-6-phenylphenol (CID 136690856) is 2-[(2,6-dimethylphenyl)iminomethyl]-6-phenylphenol.
What is the SMILES notation for 2-[(2,6-dimethylphenyl)iminomethyl]-6-phenylphenol?
The canonical SMILES for 2-[(2,6-dimethylphenyl)iminomethyl]-6-phenylphenol is Cc1cccc(C)c1/N=C/c1cccc(-c2ccccc2)c1O.
What is the InChIKey of 2-[(2,6-dimethylphenyl)iminomethyl]-6-phenylphenol?
The InChIKey is OCXXDBOUQBIWGM-HYARGMPZSA-N. The full InChI is InChI=1S/C21H19NO/c1-15-8-6-9-16(2)20(15)22-14-18-12-7-13-19(21(18)23)17-10-4-3-5-11-17/h3-14,23H,1-2H3/b22-14+.
What are the key properties of 2-[(2,6-dimethylphenyl)iminomethyl]-6-phenylphenol?
2-[(2,6-dimethylphenyl)iminomethyl]-6-phenylphenol has a molecular weight of 301.39 g/mol, XLogP of 5.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylphenyl)iminomethyl]-6-phenylphenol is sourced from PubChem (CID 136690856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).