2,6-bis[(2,4-dimethylphenyl)iminomethyl]-4-methylphenol

C25H26N2O — CID 137266730

IUPAC2,6-bis[(2,4-dimethylphenyl)iminomethyl]-4-methylphenol
SMILESCc1ccc(/N=C/c2cc(C)cc(/C=N/c3ccc(C)cc3C)c2O)c(C)c1
InChIInChI=1S/C25H26N2O/c1-16-6-8-23(19(4)10-16)26-14-21-12-18(3)13-22(25(21)28)15-27-24-9-7-17(2)11-20(24)5/h6-15,28H,1-5H3/b26-14+,27-15+
InChIKeyOAYLRGQAPWTLCU-CIOBDNPFSA-N
MW370.50 g/mol
LogP6.44
Rot. Bonds4

About 2,6-bis[(2,4-dimethylphenyl)iminomethyl]-4-methylphenol

2,6-bis[(2,4-dimethylphenyl)iminomethyl]-4-methylphenol (PubChem CID 137266730) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is 2,6-bis[(2,4-dimethylphenyl)iminomethyl]-4-methylphenol.

Molecular Properties

Compound Name2,6-bis[(2,4-dimethylphenyl)iminomethyl]-4-methylphenol
PubChem CID137266730
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC Name2,6-bis[(2,4-dimethylphenyl)iminomethyl]-4-methylphenol
SMILESCc1ccc(/N=C/c2cc(C)cc(/C=N/c3ccc(C)cc3C)c2O)c(C)c1
InChIInChI=1S/C25H26N2O/c1-16-6-8-23(19(4)10-16)26-14-21-12-18(3)13-22(25(21)28)15-27-24-9-7-17(2)11-20(24)5/h6-15,28H,1-5H3/b26-14+,27-15+
InChIKeyOAYLRGQAPWTLCU-CIOBDNPFSA-N
XLogP6.44
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,4-dimethylphenyl)iminomethyl]-2,6-dimethylphenol
CID 3905059
2-bromo-6-[(2,5-dimethylphenyl)iminomethyl]-4-methylphenol
CID 3639370
2-[(2,4-dimethylphenyl)iminomethyl]-6-methyl-4-nitrophenol
CID 902425
4-[(2,4-dimethylphenyl)iminomethyl]phenol
CID 137138686
2-[[8-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]naphthalen-1-yl]iminomethyl]-4,6-dimethylphenol
CID 137032211
2-[(2,4-dimethylphenyl)iminomethyl]-6-ethoxyphenol
CID 135657453
2-[(2,4-dimethylphenyl)iminomethyl]-6-nitrophenol
CID 137173262
4-methyl-2-[(2-methylphenyl)iminomethyl]phenol
CID 136675822
2-[(2,4-dimethylphenyl)iminomethyl]-4-methoxy-6-nitrophenol
CID 791892
3-[(2,4-dimethylphenyl)iminomethyl]-5-phenylthiophen-2-ol
CID 4682704
4-methyl-2,6-bis[(2-methylsulfanylphenyl)iminomethyl]phenol
CID 136797753
N-(2,4-dimethylphenyl)-1-naphthalen-1-ylmethanimine
CID 1381168

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[(2,4-dimethylphenyl)iminomethyl]-4-methylphenol?
The IUPAC name of 2,6-bis[(2,4-dimethylphenyl)iminomethyl]-4-methylphenol (CID 137266730) is 2,6-bis[(2,4-dimethylphenyl)iminomethyl]-4-methylphenol.
What is the SMILES notation for 2,6-bis[(2,4-dimethylphenyl)iminomethyl]-4-methylphenol?
The canonical SMILES for 2,6-bis[(2,4-dimethylphenyl)iminomethyl]-4-methylphenol is Cc1ccc(/N=C/c2cc(C)cc(/C=N/c3ccc(C)cc3C)c2O)c(C)c1.
What is the InChIKey of 2,6-bis[(2,4-dimethylphenyl)iminomethyl]-4-methylphenol?
The InChIKey is OAYLRGQAPWTLCU-CIOBDNPFSA-N. The full InChI is InChI=1S/C25H26N2O/c1-16-6-8-23(19(4)10-16)26-14-21-12-18(3)13-22(25(21)28)15-27-24-9-7-17(2)11-20(24)5/h6-15,28H,1-5H3/b26-14+,27-15+.
What are the key properties of 2,6-bis[(2,4-dimethylphenyl)iminomethyl]-4-methylphenol?
2,6-bis[(2,4-dimethylphenyl)iminomethyl]-4-methylphenol has a molecular weight of 370.50 g/mol, XLogP of 6.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[(2,4-dimethylphenyl)iminomethyl]-4-methylphenol is sourced from PubChem (CID 137266730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).