11-[(3Rs,4rs)-7-hydroxy-3-(4-hydroxyphenyl)-3-propylthiochroman-4-yl]-2-(4,4,5,5,5,-pentafluoropentyl)undecanoic acid

HCID 10282995
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Basic information

Standard SMILES
CCCC1(c2ccc(O)cc2)CSc2cc(O)ccc2C1CCCCCCCCCC(CCCC(F)(F)C(F)(F)F)C(=O)O
InChIKey
HRGOODDKYWHEBB-UHFFFAOYSA-N
Molecular formula
C34H45F5O4S
Average molar mass
644.8 g/mol

Names & identifiers

Preferred name
11-[(3Rs,4rs)-7-hydroxy-3-(4-hydroxyphenyl)-3-propylthiochroman-4-yl]-2-(4,4,5,5,5,-pentafluoropentyl)undecanoic acid
IUPAC
11-[7-hydroxy-3-(4-hydroxyphenyl)-3-propyl-2,4-dihydrothiochromen-4-yl]-2-(4,4,5,5,5-pentafluoropentyl)undecanoic acid

Names & synonyms

SCHEMBL7226759HRGOODDKYWHEBB-UHFFFAOYSA-N11-[(3rs,4rs)-7-hydroxy-3-(4-hydroxyphenyl)-3-propylthiochroman-4-yl]-2-(4,4,5,5,5,-pentafluoropentyl)undecanoic acid

Database identifiers

PubChem CID
10282995

Properties

Computed structural properties

XLogP
11.8
Topological polar surface area
103 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
10
Rotatable bonds
18
Heavy atoms
44

Related reactions

1 records
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Compound notes

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