4-(octadecyliminomethyl)phenol

C25H43NO — CID 135714966

IUPAC4-(octadecyliminomethyl)phenol
SMILESCCCCCCCCCCCCCCCCCC/N=C/c1ccc(O)cc1
InChIInChI=1S/C25H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-26-23-24-18-20-25(27)21-19-24/h18-21,23,27H,2-17,22H2,1H3/b26-23+
InChIKeyBGNBVNCIYDBMAP-WNAAXNPUSA-N
MW373.62 g/mol
LogP8.07
Rot. Bonds18

About 4-(octadecyliminomethyl)phenol

4-(octadecyliminomethyl)phenol (PubChem CID 135714966) has the molecular formula C25H43NO and a molecular weight of 373.62 g/mol. Its IUPAC name is 4-(octadecyliminomethyl)phenol.

Molecular Properties

Compound Name4-(octadecyliminomethyl)phenol
PubChem CID135714966
Molecular FormulaC25H43NO
Molecular Weight373.62 g/mol
Exact Mass373.33
IUPAC Name4-(octadecyliminomethyl)phenol
SMILESCCCCCCCCCCCCCCCCCC/N=C/c1ccc(O)cc1
InChIInChI=1S/C25H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-26-23-24-18-20-25(27)21-19-24/h18-21,23,27H,2-17,22H2,1H3/b26-23+
InChIKeyBGNBVNCIYDBMAP-WNAAXNPUSA-N
XLogP8.07
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.62
LogP ≤ 58.07
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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Related Compounds

Hordenine
CID 68313
N,N'-Bis(salicylidene)ethylenediamine
CID 26518
N,N'-Bis(salicylidene)-1,3-propanediamine
CID 67125
Phenol, 2,2'-[1,6-hexanediylbis(nitrilomethylidyne)]bis-
CID 260228
Candicine
CID 23135
4-Hydroxybenzaldehyde oxime
CID 135408704
Candicine iodide
CID 15127809
Hordenine hydrochloride
CID 165396
N,N'-Bis(salicylidene)-1,4-butanediamine
CID 482317
(Z)-(4-hydroxyphenyl)acetaldehyde oxime
CID 5459810
4-(2-Isothiocyanatoethyl)phenol
CID 10442282
Alpha-(2-hydroxyethylimino)-P-cresol
CID 121565

Frequently Asked Questions

What is the IUPAC name of 4-(octadecyliminomethyl)phenol?
The IUPAC name of 4-(octadecyliminomethyl)phenol (CID 135714966) is 4-(octadecyliminomethyl)phenol.
What is the SMILES notation for 4-(octadecyliminomethyl)phenol?
The canonical SMILES for 4-(octadecyliminomethyl)phenol is CCCCCCCCCCCCCCCCCC/N=C/c1ccc(O)cc1.
What is the InChIKey of 4-(octadecyliminomethyl)phenol?
The InChIKey is BGNBVNCIYDBMAP-WNAAXNPUSA-N. The full InChI is InChI=1S/C25H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-26-23-24-18-20-25(27)21-19-24/h18-21,23,27H,2-17,22H2,1H3/b26-23+.
What are the key properties of 4-(octadecyliminomethyl)phenol?
4-(octadecyliminomethyl)phenol has a molecular weight of 373.62 g/mol, XLogP of 8.07, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(octadecyliminomethyl)phenol is sourced from PubChem (CID 135714966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).