3-[(8E)-pentadec-8-en-1-yl]phenol
Basic information
- CAS
501-26-8- Standard SMILES
CCCCCC/C=C/CCCCCCCc1cccc(O)c1- InChIKey
YLKVIMNNMLKUGJ-BQYQJAHWSA-N- Molecular formula
- C21H34O
- Average molar mass
- 302.5 g/mol
- Monoisotopic mass
- 302.2609657
Overview
Cardanolmonoene is a member of phenols.
Names & identifiers
- Preferred name
- 3-[(8E)-pentadec-8-en-1-yl]phenol
- IUPAC
- 3-[(E)-pentadec-8-enyl]phenol
- English name
- m-[(Z)-8-Pentadecenyl]phenol
- Molecular formula
- C21H34O
- Molecular weight
- 302.49
Names & synonyms
Cardanolmonoene3-[(E)-pentadec-8-enyl]phenol3-(8-pentadecenyl)phenolCardanol15:1ANACARDOL3-[(8E)-pentadec-8-en-1-yl]phenol3-(8-pentadecenyl)-phenolSCHEMBL3700360SCHEMBL29350906CHEBI:1808083-(8-Pentadecenyl)-(Z)-PhenolMFCD00071497
Show more names
GinkgolCardanol monoene(Z)-3-(pentadec-8-en-1-yl)phenolCardanol C15:1(15:1)-Cardanol3-[(Z)-8-Pentadecenyl]phenolm-[(Z)-8-Pentadecenyl]phenol3-[(Z)-pentadec-8-enyl]phenolCardanol (C15:1), 10 mM in DMSO3-[(Z)-8-Pentadecene-1-yl]phenol
Database identifiers
- CAS
501-26-8- PubChem CID
- 5315696
- ChEBI
CHEBI:180808- Nikkaji
- J1.136.942A、J1.629.122F
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 13
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- Boiling point
- 221 · 221-223 °C
- Density
- 0.919 · 0.919±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Powder
- pka
- 10.06 · 10.06±0.10(Predicted)
- color
- Colorless to light yellow
- FDA UNII
- 7 D0J5LYPB · V7D0J5LYPB
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
UsesCardanol monoene (Cardanol C15:1) is a phenolic compound which can be found in cashew nut shell liquid. Cardanol monoene can induce mitochondria-associated apoptosis in human melanoma cells[1].
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: (15:1)-Cardanol is a member of phenols.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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