4-(hexadecyliminomethyl)phenol

C23H39NO — CID 139242050

IUPAC4-(hexadecyliminomethyl)phenol
SMILESCCCCCCCCCCCCCCCC/N=C/c1ccc(O)cc1
InChIInChI=1S/C23H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-24-21-22-16-18-23(25)19-17-22/h16-19,21,25H,2-15,20H2,1H3/b24-21+
InChIKeyQWLKXFYBOQWNOQ-DARPEHSRSA-N
MW345.57 g/mol
LogP7.29
Rot. Bonds16

About 4-(hexadecyliminomethyl)phenol

4-(hexadecyliminomethyl)phenol (PubChem CID 139242050) has the molecular formula C23H39NO and a molecular weight of 345.57 g/mol. Its IUPAC name is 4-(hexadecyliminomethyl)phenol.

Molecular Properties

Compound Name4-(hexadecyliminomethyl)phenol
PubChem CID139242050
Molecular FormulaC23H39NO
Molecular Weight345.57 g/mol
Exact Mass345.30
IUPAC Name4-(hexadecyliminomethyl)phenol
SMILESCCCCCCCCCCCCCCCC/N=C/c1ccc(O)cc1
InChIInChI=1S/C23H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-24-21-22-16-18-23(25)19-17-22/h16-19,21,25H,2-15,20H2,1H3/b24-21+
InChIKeyQWLKXFYBOQWNOQ-DARPEHSRSA-N
XLogP7.29
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.57
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(hexadecyliminomethyl)phenol?
The IUPAC name of 4-(hexadecyliminomethyl)phenol (CID 139242050) is 4-(hexadecyliminomethyl)phenol.
What is the SMILES notation for 4-(hexadecyliminomethyl)phenol?
The canonical SMILES for 4-(hexadecyliminomethyl)phenol is CCCCCCCCCCCCCCCC/N=C/c1ccc(O)cc1.
What is the InChIKey of 4-(hexadecyliminomethyl)phenol?
The InChIKey is QWLKXFYBOQWNOQ-DARPEHSRSA-N. The full InChI is InChI=1S/C23H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-24-21-22-16-18-23(25)19-17-22/h16-19,21,25H,2-15,20H2,1H3/b24-21+.
What are the key properties of 4-(hexadecyliminomethyl)phenol?
4-(hexadecyliminomethyl)phenol has a molecular weight of 345.57 g/mol, XLogP of 7.29, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hexadecyliminomethyl)phenol is sourced from PubChem (CID 139242050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).