2-(3-octoxypropyliminomethyl)phenol

C18H29NO2 — CID 138319515

IUPAC2-(3-octoxypropyliminomethyl)phenol
SMILESCCCCCCCCOCCC/N=C/c1ccccc1O
InChIInChI=1S/C18H29NO2/c1-2-3-4-5-6-9-14-21-15-10-13-19-16-17-11-7-8-12-18(17)20/h7-8,11-12,16,20H,2-6,9-10,13-15H2,1H3/b19-16+
InChIKeyWVLOYPKIPUQXMS-KNTRCKAVSA-N
MW291.43 g/mol
LogP4.58
Rot. Bonds12

About 2-(3-octoxypropyliminomethyl)phenol

2-(3-octoxypropyliminomethyl)phenol (PubChem CID 138319515) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is 2-(3-octoxypropyliminomethyl)phenol.

Molecular Properties

Compound Name2-(3-octoxypropyliminomethyl)phenol
PubChem CID138319515
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC Name2-(3-octoxypropyliminomethyl)phenol
SMILESCCCCCCCCOCCC/N=C/c1ccccc1O
InChIInChI=1S/C18H29NO2/c1-2-3-4-5-6-9-14-21-15-10-13-19-16-17-11-7-8-12-18(17)20/h7-8,11-12,16,20H,2-6,9-10,13-15H2,1H3/b19-16+
InChIKeyWVLOYPKIPUQXMS-KNTRCKAVSA-N
XLogP4.58
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-(3-octoxypropyliminomethyl)phenol?
The IUPAC name of 2-(3-octoxypropyliminomethyl)phenol (CID 138319515) is 2-(3-octoxypropyliminomethyl)phenol.
What is the SMILES notation for 2-(3-octoxypropyliminomethyl)phenol?
The canonical SMILES for 2-(3-octoxypropyliminomethyl)phenol is CCCCCCCCOCCC/N=C/c1ccccc1O.
What is the InChIKey of 2-(3-octoxypropyliminomethyl)phenol?
The InChIKey is WVLOYPKIPUQXMS-KNTRCKAVSA-N. The full InChI is InChI=1S/C18H29NO2/c1-2-3-4-5-6-9-14-21-15-10-13-19-16-17-11-7-8-12-18(17)20/h7-8,11-12,16,20H,2-6,9-10,13-15H2,1H3/b19-16+.
What are the key properties of 2-(3-octoxypropyliminomethyl)phenol?
2-(3-octoxypropyliminomethyl)phenol has a molecular weight of 291.43 g/mol, XLogP of 4.58, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-octoxypropyliminomethyl)phenol is sourced from PubChem (CID 138319515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).