4-((3,4,5-Trimethoxybenzyl)thio)phenol

HCID 384136
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Basic information

Standard SMILES
COc1cc(CSc2ccc(O)cc2)cc(OC)c1OC
InChIKey
JBTRUPZYRYLZFH-UHFFFAOYSA-N
Molecular formula
C16H18O4S
Average molar mass
306.4 g/mol

Names & identifiers

Preferred name
4-((3,4,5-Trimethoxybenzyl)thio)phenol
IUPAC
4-[(3,4,5-trimethoxyphenyl)methylsulfanyl]phenol

Names & synonyms

NSC6734234-((3,4,5-Trimethoxybenzyl)thio)phenol4-[(3,4,5-trimethoxyphenyl)methylsulfanyl]phenolSCHEMBL8529307CHEMBL2005403JBTRUPZYRYLZFH-UHFFFAOYSA-NNSC-673423NCI60_0259993,4,5-trimethoxybenzyl 4-hydroxyphenyl thioether

Database identifiers

PubChem CID
384136
ChEMBL
CHEMBL2005403

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
73.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
21

Related reactions

8 records
New reaction record

Linked notes

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