4-(1,3-dioctylimidazolidin-2-yl)phenol

C25H44N2O — CID 56688225

IUPAC4-(1,3-dioctylimidazolidin-2-yl)phenol
SMILESCCCCCCCCN1CCN(CCCCCCCC)C1c1ccc(O)cc1
InChIInChI=1S/C25H44N2O/c1-3-5-7-9-11-13-19-26-21-22-27(20-14-12-10-8-6-4-2)25(26)23-15-17-24(28)18-16-23/h15-18,25,28H,3-14,19-22H2,1-2H3
InChIKeyUGSQCXBBUKGHAL-UHFFFAOYSA-N
MW388.64 g/mol
LogP6.73
Rot. Bonds15

About 4-(1,3-dioctylimidazolidin-2-yl)phenol

4-(1,3-dioctylimidazolidin-2-yl)phenol (PubChem CID 56688225) has the molecular formula C25H44N2O and a molecular weight of 388.64 g/mol. Its IUPAC name is 4-(1,3-dioctylimidazolidin-2-yl)phenol.

Molecular Properties

Compound Name4-(1,3-dioctylimidazolidin-2-yl)phenol
PubChem CID56688225
Molecular FormulaC25H44N2O
Molecular Weight388.64 g/mol
Exact Mass388.35
IUPAC Name4-(1,3-dioctylimidazolidin-2-yl)phenol
SMILESCCCCCCCCN1CCN(CCCCCCCC)C1c1ccc(O)cc1
InChIInChI=1S/C25H44N2O/c1-3-5-7-9-11-13-19-26-21-22-27(20-14-12-10-8-6-4-2)25(26)23-15-17-24(28)18-16-23/h15-18,25,28H,3-14,19-22H2,1-2H3
InChIKeyUGSQCXBBUKGHAL-UHFFFAOYSA-N
XLogP6.73
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.64
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioctylimidazolidin-2-yl)phenol?
The IUPAC name of 4-(1,3-dioctylimidazolidin-2-yl)phenol (CID 56688225) is 4-(1,3-dioctylimidazolidin-2-yl)phenol.
What is the SMILES notation for 4-(1,3-dioctylimidazolidin-2-yl)phenol?
The canonical SMILES for 4-(1,3-dioctylimidazolidin-2-yl)phenol is CCCCCCCCN1CCN(CCCCCCCC)C1c1ccc(O)cc1.
What is the InChIKey of 4-(1,3-dioctylimidazolidin-2-yl)phenol?
The InChIKey is UGSQCXBBUKGHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44N2O/c1-3-5-7-9-11-13-19-26-21-22-27(20-14-12-10-8-6-4-2)25(26)23-15-17-24(28)18-16-23/h15-18,25,28H,3-14,19-22H2,1-2H3.
What are the key properties of 4-(1,3-dioctylimidazolidin-2-yl)phenol?
4-(1,3-dioctylimidazolidin-2-yl)phenol has a molecular weight of 388.64 g/mol, XLogP of 6.73, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioctylimidazolidin-2-yl)phenol is sourced from PubChem (CID 56688225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).