3-[3-[[3-(5,5-Dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoic acid
Basic information
- CAS
1142215-25-5- Standard SMILES
COc1ccc(F)c(-c2ccc(COc3cccc(CCC(=O)O)c3)cc2C2=CCCC2(C)C)c1- InChIKey
FJKGIIGCYTVXAV-UHFFFAOYSA-N- Molecular formula
- C30H31FO4
- Average molar mass
- 474.6 g/mol
- Monoisotopic mass
- 474.22063763
Names & identifiers
- Preferred name
- 3-[3-[[3-(5,5-Dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoic acid
- IUPAC
- 3-[3-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoic acid
Names & synonyms
CHEMBL2385475SCHEMBL2497548DTXSID301108385BDBM504342011142215-25-53-[[2-(5,5-Dimethyl-1-cyclopenten-1-yl)-2a(2)-fluoro-5a(2)-methoxy[1,1a(2)-biphenyl]-4-yl]methoxy]benzenepropanoic acid
Database identifiers
- CAS
1142215-25-5- PubChem CID
- 57705648
- DTXSID
DTXSID301108385- ChEMBL
CHEMBL2385475
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 734
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…