Basic information
- CAS
80844-14-0- Standard SMILES
CCCCCOc1ccc(C(C)(C)COCc2cccc(Oc3ccccc3)c2)cc1- InChIKey
KDMPSGPMXPVHIC-UHFFFAOYSA-N- Molecular formula
- C28H34O3
- Average molar mass
- 418.6 g/mol
- Monoisotopic mass
- 418.25079494
Names & identifiers
- Preferred name
- Benzene, 1-((2-(4-(pentyloxy)phenyl)-2-methylpropoxy)methyl)-3-phenoxy-
- IUPAC
- 1-[[2-methyl-2-(4-pentoxyphenyl)propoxy]methyl]-3-phenoxybenzene
Names & synonyms
Benzene, 1-((2-(4-(pentyloxy)phenyl)-2-methylpropoxy)methyl)-3-phenoxy-3-Phenoxybenzyl 2-(4-(n-pentyloxy)phenyl)-2-methylpropyl ether80844-14-01-((2-(4-(Pentyloxy)phenyl)-2-methylpropoxy)methyl)-3-phenoxybenzeneDTXSID00230709RefChem:323450DTXCID80153200SCHEMBL95578841-({2-Methyl-2-[4-(pentyloxy)phenyl]propoxy}methyl)-3-phenoxybenzene
Database identifiers
- CAS
80844-14-0- PubChem CID
- 3067167
- DTXSID
DTXSID00230709
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 463
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…