Basic information
- CAS
13991-42-9- Standard SMILES
CCCc1cc(OC)c(O)c(-c2cc(CCC)cc(OC)c2O)c1- InChIKey
BTTCEFCKFDSNET-UHFFFAOYSA-N- Molecular formula
- C20H26O4
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.18310931
Names & identifiers
- Preferred name
- Dehydrodidihydroeugenol
- IUPAC
- 2-(2-hydroxy-3-methoxy-5-propylphenyl)-6-methoxy-4-propylphenol
Names & synonyms
Dehydrodidihydroeugenol13991-42-9(1,1'-Biphenyl)-2,2'-diol, 3,3'-dimethoxy-5,5'-dipropyl-CHEMBL407338SCHEMBL8081097SCHEMBL31351924SCHEMBL31351925DTXSID209306533,3'-Dimethoxy-5,5'-dipropyl-[1,1'-biphenyl]-2,2'-diol2,2'-dihydroxy-3,3'-dimethoxy-5,5'-dipropylbiphenyl3,3'-Dimethoxy-5,5'-dipropyl[1,1'-biphenyl]-2,2'-diol
Database identifiers
- CAS
13991-42-9- PubChem CID
- 166972
- DTXSID
DTXSID20930653- ChEMBL
CHEMBL407338- Nikkaji
- J277.756H
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 328
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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