Basic information
- Standard SMILES
O=C(O)c1ccccc1COc1ccc(CCCOc2ccc(OCc3ccccc3)cc2)cc1- InChIKey
CSNVRLAGTQZRSD-UHFFFAOYSA-N- Molecular formula
- C30H28O5
- Average molar mass
- 468.5 g/mol
- Monoisotopic mass
- 468.19367399
Names & identifiers
- Preferred name
- 2-[(4{3-[4-(Benzyloxy)phenoxy]propyl}phenoxy)methyl]-benzoic acid
- IUPAC
- 2-[[4-[3-(4-phenylmethoxyphenoxy)propyl]phenoxy]methyl]benzoic acid
Names & synonyms
SCHEMBL3993570CSNVRLAGTQZRSD-UHFFFAOYSA-N2-[(4{3-[4-(benzyloxy)phenoxy]propyl}phenoxy)methyl]-benzoic acid
Database identifiers
- PubChem CID
- 10412337
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 588
Related reactions
2 records
Compound notes
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