10-[(3RS,4RS)-3-ethyl-7-hydroxy-3-(4-hydroxyphenyl)thiochroman-4-yl]-2-(7,7,8,8,8-pentafluoro-octyl)decanoic acid

HCID 18546277
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Basic information

Standard SMILES
CCC1(c2ccc(O)cc2)CSc2cc(O)ccc2C1CCCCCCCCC(CCCCCCC(F)(F)C(F)(F)F)C(=O)O
InChIKey
JXLNOPKDAWHOEK-UHFFFAOYSA-N
Molecular formula
C35H47F5O4S
Average molar mass
658.8 g/mol

Names & identifiers

Preferred name
10-[(3RS,4RS)-3-ethyl-7-hydroxy-3-(4-hydroxyphenyl)thiochroman-4-yl]-2-(7,7,8,8,8-pentafluoro-octyl)decanoic acid
IUPAC
2-[8-[3-ethyl-7-hydroxy-3-(4-hydroxyphenyl)-2,4-dihydrothiochromen-4-yl]octyl]-9,9,10,10,10-pentafluorodecanoic acid

Names & synonyms

10-[(3RS,4RS)-3-ethyl-7-hydroxy-3-(4-hydroxyphenyl)thiochroman-4-yl]-2-(7,7,8,8,8-pentafluoro-octyl)decanoic acidSCHEMBL7227281

Database identifiers

PubChem CID
18546277

Properties

Computed structural properties

XLogP
12.4
Topological polar surface area
103 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
10
Rotatable bonds
19
Heavy atoms
45

Related reactions

15 records
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Compound notes

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