2-[(5-tert-butyl-2-hydroxyphenyl)iminomethyl]-4-methylphenol

C18H21NO2 — CID 136644642

IUPAC2-[(5-tert-butyl-2-hydroxyphenyl)iminomethyl]-4-methylphenol
SMILESCc1ccc(O)c(/C=N/c2cc(C(C)(C)C)ccc2O)c1
InChIInChI=1S/C18H21NO2/c1-12-5-7-16(20)13(9-12)11-19-15-10-14(18(2,3)4)6-8-17(15)21/h5-11,20-21H,1-4H3/b19-11+
InChIKeyZYMGWBDILIWOQM-YBFXNURJSA-N
MW283.37 g/mol
LogP4.45
Rot. Bonds2

About 2-[(5-tert-butyl-2-hydroxyphenyl)iminomethyl]-4-methylphenol

2-[(5-tert-butyl-2-hydroxyphenyl)iminomethyl]-4-methylphenol (PubChem CID 136644642) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[(5-tert-butyl-2-hydroxyphenyl)iminomethyl]-4-methylphenol.

Molecular Properties

Compound Name2-[(5-tert-butyl-2-hydroxyphenyl)iminomethyl]-4-methylphenol
PubChem CID136644642
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-[(5-tert-butyl-2-hydroxyphenyl)iminomethyl]-4-methylphenol
SMILESCc1ccc(O)c(/C=N/c2cc(C(C)(C)C)ccc2O)c1
InChIInChI=1S/C18H21NO2/c1-12-5-7-16(20)13(9-12)11-19-15-10-14(18(2,3)4)6-8-17(15)21/h5-11,20-21H,1-4H3/b19-11+
InChIKeyZYMGWBDILIWOQM-YBFXNURJSA-N
XLogP4.45
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-2-hydroxyphenyl)iminomethyl]-4-methylphenol?
The IUPAC name of 2-[(5-tert-butyl-2-hydroxyphenyl)iminomethyl]-4-methylphenol (CID 136644642) is 2-[(5-tert-butyl-2-hydroxyphenyl)iminomethyl]-4-methylphenol.
What is the SMILES notation for 2-[(5-tert-butyl-2-hydroxyphenyl)iminomethyl]-4-methylphenol?
The canonical SMILES for 2-[(5-tert-butyl-2-hydroxyphenyl)iminomethyl]-4-methylphenol is Cc1ccc(O)c(/C=N/c2cc(C(C)(C)C)ccc2O)c1.
What is the InChIKey of 2-[(5-tert-butyl-2-hydroxyphenyl)iminomethyl]-4-methylphenol?
The InChIKey is ZYMGWBDILIWOQM-YBFXNURJSA-N. The full InChI is InChI=1S/C18H21NO2/c1-12-5-7-16(20)13(9-12)11-19-15-10-14(18(2,3)4)6-8-17(15)21/h5-11,20-21H,1-4H3/b19-11+.
What are the key properties of 2-[(5-tert-butyl-2-hydroxyphenyl)iminomethyl]-4-methylphenol?
2-[(5-tert-butyl-2-hydroxyphenyl)iminomethyl]-4-methylphenol has a molecular weight of 283.37 g/mol, XLogP of 4.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-2-hydroxyphenyl)iminomethyl]-4-methylphenol is sourced from PubChem (CID 136644642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).