Basic information
- Standard SMILES
CCCCCCCCCCOc1ccc(OCc2ccccc2)c(C(=O)OC)c1- InChIKey
FGTHALAVNIXKKJ-UHFFFAOYSA-N- Molecular formula
- C25H34O4
- Average molar mass
- 398.5 g/mol
Names & identifiers
- Preferred name
- 5-(Decyloxy)-2-(phenylmethoxy)benzoic acid methyl ester
- IUPAC
- methyl 5-decoxy-2-phenylmethoxybenzoate
Names & synonyms
SCHEMBL9402538FGTHALAVNIXKKJ-UHFFFAOYSA-N5-(decyloxy)-2-(phenylmethoxy)benzoic acid methyl ester5-(decyloxy)-2-(phenylmethoxy) benzoic acid methyl ester
Database identifiers
- PubChem CID
- 53798528
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 15
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 419
Related reactions
4 records
Compound notes
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