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

HCID 384137
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Basic information

Standard SMILES
COc1cc(CS(=O)c2ccc(O)cc2)cc(OC)c1OC
InChIKey
VXIHXSAKWFINBO-UHFFFAOYSA-N
Molecular formula
C16H18O5S
Average molar mass
322.4 g/mol

Names & identifiers

Preferred name
4-((3,4,5-Trimethoxybenzyl)sulfinyl)phenol
IUPAC
4-[(3,4,5-trimethoxyphenyl)methylsulfinyl]phenol

Names & synonyms

NSC6734244-((3,4,5-Trimethoxybenzyl)sulfinyl)phenol4-[(3,4,5-trimethoxyphenyl)methylsulfinyl]phenolSCHEMBL8528912CHEMBL1991630VXIHXSAKWFINBO-UHFFFAOYSA-NNSC-673424NCI60_0260003,4,5-trimethoxybenzyl 4-hydroxyphenyl sulfoxide

Database identifiers

PubChem CID
384137
ChEMBL
CHEMBL1991630

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
84.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
22

Related reactions

2 records
New reaction record

Compound notes

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