Basic information
- Standard SMILES
COC(=O)COc1ccc(-c2ccc3cc(C(=O)O)ccc3c2)cc1C12CC3CC(CC(C3)C1)C2- InChIKey
BUMLDNBFMXWNHY-UHFFFAOYSA-N- Molecular formula
- C30H30O5
- Average molar mass
- 470.6 g/mol
Names & identifiers
- Preferred name
- 6-[3-(1-Adamantyl)-4-methoxycarbonylmethyloxyphenyl]-2-naphthoic acid
- IUPAC
- 6-[3-(1-adamantyl)-4-(2-methoxy-2-oxoethoxy)phenyl]naphthalene-2-carboxylic acid
Names & synonyms
SCHEMBL8766420BUMLDNBFMXWNHY-UHFFFAOYSA-N6-[3-(1-Adamantyl)-4-methoxycarbonylmethyloxyphenyl]-2-naphthoic acid
Database identifiers
- PubChem CID
- 19429698
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 765
Related reactions
1 records
Compound notes
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