Basic information
- Standard SMILES
CC(C)(C)c1ccc(OCCCOc2ccc3c(c2)O[C@@](C)(C(=O)O)CC3)c(Cl)c1- InChIKey
XQAIQBLJGQZECG-XMMPIXPASA-N- Molecular formula
- C24H29ClO5
- Average molar mass
- 432.9 g/mol
Names & identifiers
- Preferred name
- (2R)-7-(3-(2-Chloro-4-tert-butylphenoxy)propoxy)-2-methylchromane-2-carboxylic Acid
- IUPAC
- (2R)-7-[3-(4-tert-butyl-2-chlorophenoxy)propoxy]-2-methyl-3,4-dihydrochromene-2-carboxylic acid
Names & synonyms
CHEMBL426592SCHEMBL6796189XQAIQBLJGQZECG-XMMPIXPASA-NBDBM50168546(2R)-7-(3-(2-Chloro-4-tert-butylphenoxy)propoxy)-2-methylchromane-2-carboxylic Acid(R)-7-[3-(4-tert-Butyl-2-chloro-phenoxy)-propoxy]-2-methyl-chroman-2-carboxylic acid
Database identifiers
- PubChem CID
- 10113686
- ChEMBL
CHEMBL426592
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 576
Related reactions
1 records
Compound notes
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