Basic information
- CAS
208347-68-6- Standard SMILES
COc1ccc(C#Cc2cc(OC)c(OC)c(OC)c2)cc1- InChIKey
XVYOJBGBNUPSIP-UHFFFAOYSA-N- Molecular formula
- C18H18O4
- Average molar mass
- 298.3 g/mol
- Monoisotopic mass
- 298.12050905
Names & identifiers
- Preferred name
- 1,2,3-Trimethoxy-5-[2-(4-methoxyphenyl)ethynyl]benzene
- IUPAC
- 1,2,3-trimethoxy-5-[2-(4-methoxyphenyl)ethynyl]benzene
Names & synonyms
208347-68-61,2,3-trimethoxy-5-[2-(4-methoxyphenyl)ethynyl]benzeneBenzene, 1,2,3-trimethoxy-5-[(4-methoxyphenyl)ethynyl]-1,2,3-trimethoxy-5-[(4-methoxyphenyl)ethynyl]benzeneBenzene, 1,2,3-trimethoxy-5-[2-(4-methoxyphenyl)ethynyl]-1,2,3-Trimethoxy-5-((4-methoxyphenyl)ethynyl)benzeneSCHEMBL18130094DTXSID70433907XVYOJBGBNUPSIP-UHFFFAOYSA-NSTL433316AKOS016347735
Database identifiers
- CAS
208347-68-6- PubChem CID
- 9994841
- DTXSID
DTXSID70433907- Nikkaji
- J2.336.620G
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 374
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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