Phenol, 4-(5-octyl-2-pyridinyl)-

HCID 1725484

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 110500-54-4
Standard SMILES: CCCCCCCCc1ccc(-c2ccc(O)cc2)nc1
InChIKey: FQMSHHKLVWFXEE-UHFFFAOYSA-N
Molecular formula: C19H25NO
Average molar mass: 283.4 g/mol

Names & identifiers

Preferred name: Phenol, 4-(5-octyl-2-pyridinyl)-
IUPAC: 4-(5-octyl-2-pyridinyl)phenol

Names & synonyms

Phenol, 4-(5-octyl-2-pyridinyl)-110500-54-44-(5-octylpyridin-2-yl)phenol4-(5-octyl-2-pyridyl)phenol2-(p-hydroxyphenyl)-5-octylpyridinep-(5-octyl-2-pyridyl)phenolSCHEMBL6283948p-(5-octyl-2-pyridyl)-phenolDTXSID80420868FQMSHHKLVWFXEE-UHFFFAOYSA-NAKOS000508280DA-20582

Show more names

ST50248489AG-690/126204854-(5-Octylpyridin-2(1H)-ylidene)cyclohexa-2,5-dien-1-one

Database identifiers

CAS: 110500-54-4
PubChem CID: 1725484
DTXSID: DTXSID80420868

Properties

Computed structural properties

XLogP: 6.2
Topological polar surface area: 33.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 8
Heavy atoms: 21
Formal charge: 0
Complexity: 260

Related reactions

10 records

New reaction record

HRID 3931As productuspto-grants-1988_02

HRID 3932As reactantuspto-grants-1988_02

HRID 86958As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 288438As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1117320As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1198834As productuspto-grants-1990_02

HRID 1198835As reactantuspto-grants-1990_02

HRID 1240061As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

Loading…