Basic information
- CAS
853652-41-2- Standard SMILES
CCCc1cc(C(=O)c2ccc(F)cc2)ccc1OCCCOc1ccc2c(ccn2CC(=O)O)c1- InChIKey
XNMKUDNOJPRNBG-UHFFFAOYSA-N- Molecular formula
- C29H28FNO5
- Average molar mass
- 489.5 g/mol
- Monoisotopic mass
- 489.19515116
Names & identifiers
- Preferred name
- 2-(5-(3-(4-(4-fluorobenzoyl)-2-propylphenoxy)propoxy)-1H-indol-1-yl)acetic acid
- IUPAC
- 2-[5-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propoxy]indol-1-yl]acetic acid
Names & synonyms
CHEMBL425766SCHEMBL5008655DTXSID601145146BDBM501819032-(5-(3-(4-(4-fluorobenzoyl)-2-propylphenoxy)propoxy)-1H-indol-1-yl)acetic acid853652-41-2(5-{3-[4-(4-Fluorobenzoyl)-2-propylphenoxy]propoxy}-1H-indol-1-yl)acetic acid5-[3-[4-(4-Fluorobenzoyl)-2-propylphenoxy]propoxy]-1H-indole-1-acetic acid
Database identifiers
- CAS
853652-41-2- PubChem CID
- 11627288
- DTXSID
DTXSID601145146- ChEMBL
CHEMBL425766
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 712
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…