2-(3,5-Dimethoxyphenyl)-2-(phenylsulfanyl)acetic acid

HCID 67081798
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Basic information

Standard SMILES
COc1cc(OC)cc(C(Sc2ccccc2)C(=O)O)c1
InChIKey
CRKOYXMCVFZRDE-UHFFFAOYSA-N
Molecular formula
C16H16O4S
Average molar mass
304.4 g/mol

Names & identifiers

Preferred name
2-(3,5-Dimethoxyphenyl)-2-(phenylsulfanyl)acetic acid
IUPAC
2-(3,5-dimethoxyphenyl)-2-phenylsulfanylacetic acid

Names & synonyms

SCHEMBL1572940CRKOYXMCVFZRDE-UHFFFAOYSA-N2-(3,5-dimethoxyphenyl)-2-(phenyl-sulfanyl)acetic acid2-(3,5-dimethoxyphenyl)-2-(phenylsulfanyl)acetic acid

Database identifiers

PubChem CID
67081798

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
81.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
21

Related reactions

2 records
New reaction record

Linked notes

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