Basic information
- CAS
80844-13-9- Standard SMILES
CC(C)(COCc1cccc(Oc2ccccc2)c1)c1ccc(OC2CCCC2)cc1- InChIKey
JTCSHPOHPLGJGC-UHFFFAOYSA-N- Molecular formula
- C28H32O3
- Average molar mass
- 416.6 g/mol
- Monoisotopic mass
- 416.23514488
Names & identifiers
- Preferred name
- Benzene, 1-((2-(4-(cyclopentyloxy)phenyl)-2-methylpropoxy)methyl)-3-phenoxy-
- IUPAC
- 1-cyclopentyloxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
Names & synonyms
Benzene, 1-((2-(4-(cyclopentyloxy)phenyl)-2-methylpropoxy)methyl)-3-phenoxy-3-Phenoxybenzyl 2-(4-cyclopentyloxyphenyl)-2-methylpropyl ether80844-13-91-((2-(4-(Cyclopentyloxy)phenyl)-2-methylpropoxy)methyl)-3-phenoxybenzeneDTXSID402307081-({2-[4-(Cyclopentyloxy)phenyl]-2-methylpropoxy}methyl)-3-phenoxybenzeneRefChem:323440DTXCID30153199SCHEMBL10851141
Database identifiers
- CAS
80844-13-9- PubChem CID
- 3067166
- DTXSID
DTXSID40230708
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 498
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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