p-Methoxycinnamaldehyde
precursor
Showing entry for p-Methoxycinnamaldehyde
Identification
- PhytoHub ID
- PHUB001704
- Name
- p-Methoxycinnamaldehyde
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 162.188
- Monoisotopic Mass
- 162.068079562
- Chemical Formula
- C10H10O2
- IUPAC Name
- (2E)-3-(4-methoxyphenyl)prop-2-enal
- InChI Key
- AXCXHFKZHDEKTP-NSCUHMNNSA-N
- InChI Identifier
InChI=1S/C10H10O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h2-8H,1H3/b3-2+
- SMILES
COC1=CC=C(\C=C\C=O)C=C1
- Structure
Structure for p-Methoxycinnamaldehyde
Calculated Properties
- Solubility (ALOGPS)
- 2.78e-01 g/l
- LogS (ALOGPS)
- -2.77
- LogP (ALOGPS)
- 2.06
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 0
- Rotatable Bond Count
- 3
- Polar Surface Area
- 26.3
- Refractivity
- 48.597699999999996
- Polarizability
- 17.550440394104047
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -4.214982657476348
- pKa (strongest acidic)
- Not Available
- Number of Rings
- 1
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- Yes
- MDDR-like Rule
- No
External Links
No external links
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Miscellaneous polyphenols
- Sub-class
- Not Available
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Cinnamaldehydes
- Super-class
- Phenylpropanoids and polyketides
- Sub-class
- Not Available
- Direct Parent Name
- Cinnamaldehydes
- Alternative Parent Names
- ["Aldehydes", "Alkyl aryl ethers", "Anisoles", "Enals", "Hydrocarbon derivatives", "Methoxybenzenes", "Organic oxides", "Phenoxy compounds", "Styrenes"]
- External Descriptor Annotations
- ["cinnamaldehydes"]
- Substituent Names
- ["Aldehyde", "Alkyl aryl ether", "Alpha,beta-unsaturated aldehyde", "Anisole", "Aromatic homomonocyclic compound", "Benzenoid", "Carbonyl group", "Cinnamaldehyde", "Enal", "Ether", "Hydrocarbon derivative", "Methoxybenzene", "Monocyclic benzene moiety", "Organic oxide", "Organic oxygen compound", "Organooxygen compound", "Phenol ether", "Phenoxy compound", "Styrene"]
Spectra from Phytohub
Food Sources
No food source information available
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
No metabolism information available
Inter-Individual Variations in Metabolism
No data on inter-individual variations available