Basic information
- CAS
61343-44-0- Standard SMILES
Cc1c(C)c2c(c(C)c1OC(=O)COc1ccc(Cl)cc1)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2- InChIKey
BSKVVWMQRIUXTP-UHFFFAOYSA-N- Molecular formula
- C37H55ClO4
- Average molar mass
- 599.3 g/mol
- Monoisotopic mass
- 598.3788879
Names & identifiers
- Preferred name
- Tocofenoxate
- IUPAC
- [2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] 2-(4-chlorophenoxy)acetate
- English name
- Tocofenoxate
- Molecular formula
- C37H55ClO4
- Molecular weight
- 599.28
Names & synonyms
TocofenoxateTocofenoxato61343-44-0Tocofenoxate [INN]TocofenoxatumTocofenoxatum [INN-Latin]Tocofenoxato [INN-Spanish]UNII-1IM68132B0J2.404.187E1IM68132B0Tocofenoxatum (INN-Latin)Tocofenoxato (INN-Spanish)
Show more names
Acetic acid, 2-(4-chlorophenoxy)-, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl ester
all-rac-2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanyl (p-chlorophenoxy)acetateRefChem:190265[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] 2-(4-chlorophenoxy)acetateorb2815184SCHEMBL2109270CHEMBL2105793DTXSID40866849NS00120514
Database identifiers
- CAS
61343-44-0- PubChem CID
- 68807
- DTXSID
DTXSID40866849- ChEMBL
CHEMBL2105793- UNII
- 1IM68132B0
- Nikkaji
- J2.404.187E
Properties
Computed structural properties
- XLogP
- 13.1
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 17
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 780
Physicochemical properties
- FDA UNII
- 1 IM68132B0 · 1IM68132B0
Chemistry & industry
Suppliers1 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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