Basic information
- Standard SMILES
Cc1cc2ccc(C#CC(C)(C)O)cc2c(-c2ccc(Cl)cc2)c1C(OC(C)(C)C)C(=O)O- InChIKey
RFYJBYHZAAEKBC-UHFFFAOYSA-N- Molecular formula
- C28H29ClO4
- Average molar mass
- 465 g/mol
- Monoisotopic mass
- 464.1754371
Names & identifiers
- Preferred name
- 2-Tert-butoxy-2-(1-(4-chlorophenyl)-7-(3-hydroxy-3-methylbut-1-ynyl)-3-methylnaphthalen-2-yl)acetic acid
- IUPAC
- 2-[1-(4-chlorophenyl)-7-(3-hydroxy-3-methylbut-1-ynyl)-3-methylnaphthalen-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
Names & synonyms
SCHEMBL1699700RFYJBYHZAAEKBC-UHFFFAOYSA-N2-tert-butoxy-2-(1-(4-chlorophenyl)-7-(3-hydroxy-3-methylbut-1-ynyl)-3-methylnaphthalen-2-yl)acetic acid
Database identifiers
- PubChem CID
- 56599730
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 749
Related reactions
3 records
Compound notes
Loading…