[4-(3,3-Bis-biphenyl-4-yl-allylsulfanyl)-2-methyl-phenoxy]-acetic Acid

HCID 9850329
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Basic information

Standard SMILES
Cc1cc(SCC=C(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)ccc1OCC(=O)O
InChIKey
ILEQYGMYLQQDML-UHFFFAOYSA-N
Molecular formula
C36H30O3S
Average molar mass
542.7 g/mol

Names & identifiers

Preferred name
[4-(3,3-Bis-biphenyl-4-yl-allylsulfanyl)-2-methyl-phenoxy]-acetic Acid
IUPAC
2-[4-[3,3-bis(4-phenylphenyl)prop-2-enylsulfanyl]-2-methylphenoxy]acetic acid

Names & synonyms

SCHEMBL5959547ILEQYGMYLQQDML-UHFFFAOYSA-N[4-(3,3-Bis-biphenyl-4-yl-allylsulfanyl)-2-methyl-phenoxy]-acetic Acid

Database identifiers

PubChem CID
9850329

Properties

Computed structural properties

XLogP
9.6
Topological polar surface area
71.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
10
Heavy atoms
40

Related reactions

1 records
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Compound notes

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