4-(octyliminomethyl)phenol

C15H23NO — CID 137189934

IUPAC4-(octyliminomethyl)phenol
SMILESCCCCCCCC/N=C/c1ccc(O)cc1
InChIInChI=1S/C15H23NO/c1-2-3-4-5-6-7-12-16-13-14-8-10-15(17)11-9-14/h8-11,13,17H,2-7,12H2,1H3/b16-13+
InChIKeyGWHRSIKNOAVNTG-DTQAZKPQSA-N
MW233.36 g/mol
LogP4.17
Rot. Bonds8

About 4-(octyliminomethyl)phenol

4-(octyliminomethyl)phenol (PubChem CID 137189934) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-(octyliminomethyl)phenol.

Molecular Properties

Compound Name4-(octyliminomethyl)phenol
PubChem CID137189934
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name4-(octyliminomethyl)phenol
SMILESCCCCCCCC/N=C/c1ccc(O)cc1
InChIInChI=1S/C15H23NO/c1-2-3-4-5-6-7-12-16-13-14-8-10-15(17)11-9-14/h8-11,13,17H,2-7,12H2,1H3/b16-13+
InChIKeyGWHRSIKNOAVNTG-DTQAZKPQSA-N
XLogP4.17
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 54.17
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-(octyliminomethyl)phenol?
The IUPAC name of 4-(octyliminomethyl)phenol (CID 137189934) is 4-(octyliminomethyl)phenol.
What is the SMILES notation for 4-(octyliminomethyl)phenol?
The canonical SMILES for 4-(octyliminomethyl)phenol is CCCCCCCC/N=C/c1ccc(O)cc1.
What is the InChIKey of 4-(octyliminomethyl)phenol?
The InChIKey is GWHRSIKNOAVNTG-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H23NO/c1-2-3-4-5-6-7-12-16-13-14-8-10-15(17)11-9-14/h8-11,13,17H,2-7,12H2,1H3/b16-13+.
What are the key properties of 4-(octyliminomethyl)phenol?
4-(octyliminomethyl)phenol has a molecular weight of 233.36 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(octyliminomethyl)phenol is sourced from PubChem (CID 137189934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).