4-(dodecyliminomethyl)phenol

C19H31NO — CID 135714965

IUPAC4-(dodecyliminomethyl)phenol
SMILESCCCCCCCCCCCC/N=C/c1ccc(O)cc1
InChIInChI=1S/C19H31NO/c1-2-3-4-5-6-7-8-9-10-11-16-20-17-18-12-14-19(21)15-13-18/h12-15,17,21H,2-11,16H2,1H3/b20-17+
InChIKeyANPSAYBVGGQTGM-LVZFUZTISA-N
MW289.46 g/mol
LogP5.73
Rot. Bonds12

About 4-(dodecyliminomethyl)phenol

4-(dodecyliminomethyl)phenol (PubChem CID 135714965) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 4-(dodecyliminomethyl)phenol.

Molecular Properties

Compound Name4-(dodecyliminomethyl)phenol
PubChem CID135714965
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name4-(dodecyliminomethyl)phenol
SMILESCCCCCCCCCCCC/N=C/c1ccc(O)cc1
InChIInChI=1S/C19H31NO/c1-2-3-4-5-6-7-8-9-10-11-16-20-17-18-12-14-19(21)15-13-18/h12-15,17,21H,2-11,16H2,1H3/b20-17+
InChIKeyANPSAYBVGGQTGM-LVZFUZTISA-N
XLogP5.73
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.46
LogP ≤ 55.73
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-(dodecyliminomethyl)phenol?
The IUPAC name of 4-(dodecyliminomethyl)phenol (CID 135714965) is 4-(dodecyliminomethyl)phenol.
What is the SMILES notation for 4-(dodecyliminomethyl)phenol?
The canonical SMILES for 4-(dodecyliminomethyl)phenol is CCCCCCCCCCCC/N=C/c1ccc(O)cc1.
What is the InChIKey of 4-(dodecyliminomethyl)phenol?
The InChIKey is ANPSAYBVGGQTGM-LVZFUZTISA-N. The full InChI is InChI=1S/C19H31NO/c1-2-3-4-5-6-7-8-9-10-11-16-20-17-18-12-14-19(21)15-13-18/h12-15,17,21H,2-11,16H2,1H3/b20-17+.
What are the key properties of 4-(dodecyliminomethyl)phenol?
4-(dodecyliminomethyl)phenol has a molecular weight of 289.46 g/mol, XLogP of 5.73, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dodecyliminomethyl)phenol is sourced from PubChem (CID 135714965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).