2-[(5-ethyl-2-hydroxyphenyl)iminomethyl]-6-methylphenol

C16H17NO2 — CID 868611

IUPAC2-[(5-ethyl-2-hydroxyphenyl)iminomethyl]-6-methylphenol
SMILESCCc1ccc(O)c(/N=C/c2cccc(C)c2O)c1
InChIInChI=1S/C16H17NO2/c1-3-12-7-8-15(18)14(9-12)17-10-13-6-4-5-11(2)16(13)19/h4-10,18-19H,3H2,1-2H3/b17-10+
InChIKeyCCXFQMZSQXHYKQ-LICLKQGHSA-N
MW255.32 g/mol
LogP3.72
Rot. Bonds3

About 2-[(5-ethyl-2-hydroxyphenyl)iminomethyl]-6-methylphenol

2-[(5-ethyl-2-hydroxyphenyl)iminomethyl]-6-methylphenol (PubChem CID 868611) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[(5-ethyl-2-hydroxyphenyl)iminomethyl]-6-methylphenol.

Molecular Properties

Compound Name2-[(5-ethyl-2-hydroxyphenyl)iminomethyl]-6-methylphenol
PubChem CID868611
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-[(5-ethyl-2-hydroxyphenyl)iminomethyl]-6-methylphenol
SMILESCCc1ccc(O)c(/N=C/c2cccc(C)c2O)c1
InChIInChI=1S/C16H17NO2/c1-3-12-7-8-15(18)14(9-12)17-10-13-6-4-5-11(2)16(13)19/h4-10,18-19H,3H2,1-2H3/b17-10+
InChIKeyCCXFQMZSQXHYKQ-LICLKQGHSA-N
XLogP3.72
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.72
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-ethyl-2-hydroxyphenyl)iminomethyl]-6-methylphenol?
The IUPAC name of 2-[(5-ethyl-2-hydroxyphenyl)iminomethyl]-6-methylphenol (CID 868611) is 2-[(5-ethyl-2-hydroxyphenyl)iminomethyl]-6-methylphenol.
What is the SMILES notation for 2-[(5-ethyl-2-hydroxyphenyl)iminomethyl]-6-methylphenol?
The canonical SMILES for 2-[(5-ethyl-2-hydroxyphenyl)iminomethyl]-6-methylphenol is CCc1ccc(O)c(/N=C/c2cccc(C)c2O)c1.
What is the InChIKey of 2-[(5-ethyl-2-hydroxyphenyl)iminomethyl]-6-methylphenol?
The InChIKey is CCXFQMZSQXHYKQ-LICLKQGHSA-N. The full InChI is InChI=1S/C16H17NO2/c1-3-12-7-8-15(18)14(9-12)17-10-13-6-4-5-11(2)16(13)19/h4-10,18-19H,3H2,1-2H3/b17-10+.
What are the key properties of 2-[(5-ethyl-2-hydroxyphenyl)iminomethyl]-6-methylphenol?
2-[(5-ethyl-2-hydroxyphenyl)iminomethyl]-6-methylphenol has a molecular weight of 255.32 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-2-hydroxyphenyl)iminomethyl]-6-methylphenol is sourced from PubChem (CID 868611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).