2-[(2-hydroxy-5-methylphenyl)iminomethyl]-4-methylphenol

C15H15NO2 — CID 831253

IUPAC2-[(2-hydroxy-5-methylphenyl)iminomethyl]-4-methylphenol
SMILESCc1ccc(O)c(/C=N/c2cc(C)ccc2O)c1
InChIInChI=1S/C15H15NO2/c1-10-3-5-14(17)12(7-10)9-16-13-8-11(2)4-6-15(13)18/h3-9,17-18H,1-2H3/b16-9+
InChIKeyUTHLVLSLNAURQL-CXUHLZMHSA-N
MW241.29 g/mol
LogP3.47
Rot. Bonds2

About 2-[(2-hydroxy-5-methylphenyl)iminomethyl]-4-methylphenol

2-[(2-hydroxy-5-methylphenyl)iminomethyl]-4-methylphenol (PubChem CID 831253) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[(2-hydroxy-5-methylphenyl)iminomethyl]-4-methylphenol.

Molecular Properties

Compound Name2-[(2-hydroxy-5-methylphenyl)iminomethyl]-4-methylphenol
PubChem CID831253
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name2-[(2-hydroxy-5-methylphenyl)iminomethyl]-4-methylphenol
SMILESCc1ccc(O)c(/C=N/c2cc(C)ccc2O)c1
InChIInChI=1S/C15H15NO2/c1-10-3-5-14(17)12(7-10)9-16-13-8-11(2)4-6-15(13)18/h3-9,17-18H,1-2H3/b16-9+
InChIKeyUTHLVLSLNAURQL-CXUHLZMHSA-N
XLogP3.47
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.47
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-[(2-hydroxy-5-methylphenyl)iminomethyl]-4-methylphenol?
The IUPAC name of 2-[(2-hydroxy-5-methylphenyl)iminomethyl]-4-methylphenol (CID 831253) is 2-[(2-hydroxy-5-methylphenyl)iminomethyl]-4-methylphenol.
What is the SMILES notation for 2-[(2-hydroxy-5-methylphenyl)iminomethyl]-4-methylphenol?
The canonical SMILES for 2-[(2-hydroxy-5-methylphenyl)iminomethyl]-4-methylphenol is Cc1ccc(O)c(/C=N/c2cc(C)ccc2O)c1.
What is the InChIKey of 2-[(2-hydroxy-5-methylphenyl)iminomethyl]-4-methylphenol?
The InChIKey is UTHLVLSLNAURQL-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H15NO2/c1-10-3-5-14(17)12(7-10)9-16-13-8-11(2)4-6-15(13)18/h3-9,17-18H,1-2H3/b16-9+.
What are the key properties of 2-[(2-hydroxy-5-methylphenyl)iminomethyl]-4-methylphenol?
2-[(2-hydroxy-5-methylphenyl)iminomethyl]-4-methylphenol has a molecular weight of 241.29 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-5-methylphenyl)iminomethyl]-4-methylphenol is sourced from PubChem (CID 831253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).