Basic information
- CAS
88420-31-9- Standard SMILES
CCCc1c(OCCCC(=O)OCC)ccc(C(C)=O)c1O- InChIKey
DTLRCWBKCYZCKY-UHFFFAOYSA-N- Molecular formula
- C17H24O5
- Average molar mass
- 308.4 g/mol
- Monoisotopic mass
- 308.16237387
Names & identifiers
- Preferred name
- Ethyl 4-(4-acetyl-3-hydroxy-2-propylphenoxy)butanoate
- IUPAC
- ethyl 4-(4-acetyl-3-hydroxy-2-propylphenoxy)butanoate
- English name
- 4-(4-Acetyl-3-hydroxy-2-propylphenoxy)butanoic Acid Ethyl Ester
- Molecular formula
- C17H24O5
- Molecular weight
- 308.36946
Names & synonyms
88420-31-9Ethyl 4-(4-acetyl-3-hydroxy-2-propylphenoxy)butanoate4-(4-acetyl-3-hydroxy-2-propylphenoxy)butanoic acid ethyl esterButanoic acid, 4-(4-acetyl-3-hydroxy-2-propylphenoxy)-, ethyl esterstarbld0005636SCHEMBL9383779DTXSID50559018DTLRCWBKCYZCKY-UHFFFAOYSA-NNDA42031AKOS030255444DB-205025ethyl 4-(4-acetyl-3-hydroxy-2-propylphenoxy)butyrate
Show more names
4-(4-acetyl-3-hydroxy-2-propylphenoxy) butanoic acid ethyl ester
Database identifiers
- CAS
88420-31-9- PubChem CID
- 14330004
- DTXSID
DTXSID50559018
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 355
Physicochemical properties
- solubility
- DCM
- form
- Oil
- color
- Pale Yellow
Chemistry & industry
Applications
Uses4-(4-Acetyl-3-hydroxy-2-propylphenoxy)butanoic Acid Ethyl Ester is an intermediate in the synthesis of Tipelukast (T444870), a novel oral anti-inflammatory agent, suppresses bladder hyperactivity in a rat model.
Suppliers2 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
Related reactions
23 records
Compound notes
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