Basic information
- Standard SMILES
CC(C)C(O)(CCCCc1ccccc1)C(C)C(=O)O- InChIKey
GNOREQHPMKZQIC-UHFFFAOYSA-N- Molecular formula
- C17H26O3
- Average molar mass
- 278.4 g/mol
Names & identifiers
- Preferred name
- Methyl 3-hydroxy-3-isopropyl-7-phenylheptanoic acid
- IUPAC
- 3-hydroxy-2-methyl-7-phenyl-3-propan-2-ylheptanoic acid
Names & synonyms
SCHEMBL6823353GNOREQHPMKZQIC-UHFFFAOYSA-Nmethyl 3-hydroxy-3-isopropyl-7-phenylheptanoic acid
Database identifiers
- PubChem CID
- 18790083
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 295
Related reactions
1 records
Compound notes
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