Basic information
- CAS
96609-16-4- Standard SMILES
CC(C)(C)c1ccc(CCC(O)COc2ccc(C(=O)O)cc2)cc1- InChIKey
LNXBEIZREVRNTF-UHFFFAOYSA-N- Molecular formula
- C21H26O4
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.18310931
Overview
Lifibrol is an alkylbenzene.
Names & identifiers
- Preferred name
- Lifibrol
- IUPAC
- 4-[4-(4-tert-butylphenyl)-2-hydroxybutoxy]benzoic acid
- English name
- Lifibrol
- Molecular formula
- C21H26O4
- Molecular weight
- 342.43
Names & synonyms
LIFIBROL96609-16-4Lifibrolum4-[4-(4-tert-butylphenyl)-2-hydroxybutoxy]benzoic acidK 121486KWX9X0Q5KK-12148DTXSID808692784-(4'-tert-butylphenyl)-1-(4'-carboxyphenoxy)-2-butanolK12.1484-(4-(4-tert-butylphenyl)-2-hydroxybutoxy)benzoic acidRefChem:924745
Show more names
U 83860K-12.1484-[4-[4-(tert-Butyl)phenyl]-2-hydroxybutoxy]benzoic acid4-[4-[4-(1,1-Dimethylethyl)phenyl]-2-hydroxybutoxy]benzoic acid
DTXCID708172834-(4-(4-(tert-Butyl)phenyl)-2-hydroxybutoxy)benzoic acidLifibrol (USAN/INN)U-83860(+-)-p-(4-(p-tert-Butylphenyl)-2-hydroxybutoxy)benzoic acidBenzoic acid, 4-[4-[4-(1,1-dimethylethyl)phenyl]-2-hydroxybutoxy]-Lifibrol [USAN:INN]Lifibrolum [INN-Latin]
Database identifiers
- CAS
96609-16-4- PubChem CID
- 57112
- DTXSID
DTXSID80869278- ChEMBL
CHEMBL2105019
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 399
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 536.8 · 536.8±45.0 °C(Predicted)
- Density
- 1.138 · 1.138±0.06 g/cm3(Predicted)
- pka
- 4.43 · 4.43±0.10(Predicted)
- Water Solubility
- 366.4 ug/L · 366.4ug/L(29 ºC)
- FDA UNII
- 6 KWX9X0Q5K · 6KWX9X0Q5K
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesHypocholesterolemic.
Suppliers5 total
上海策嵘生物科技有限公司[email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Additional notes
DefinitionChEBI: Lifibrol is an alkylbenzene.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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