Basic information
- Standard SMILES
Cc1cccc(C)c1COc1cccc(C(=O)CCCC(=O)O)c1- InChIKey
DHGDVXTYMOEPHN-UHFFFAOYSA-N- Molecular formula
- C20H22O4
- Average molar mass
- 326.4 g/mol
Names & identifiers
- Preferred name
- 5-(3-(2,6-Dimethylbenzyloxy)phenyl)-5-oxopentanoic acid
- IUPAC
- 5-[3-[(2,6-dimethylphenyl)methoxy]phenyl]-5-oxopentanoic acid
Names & synonyms
SCHEMBL956329DHGDVXTYMOEPHN-UHFFFAOYSA-N5-(3-(2,6-Dimethylbenzyloxy)phenyl)-5-oxopentanoic acid
Database identifiers
- PubChem CID
- 44547310
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 410
Related reactions
2 records
Compound notes
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