3-(4-methoxybenzylsulfonyl)-7-hydroxy-2H-chromen-2-one

HCID 11645932
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Basic information

Standard SMILES
COc1ccc(CS(=O)(=O)c2cc3ccc(O)cc3oc2=O)cc1
InChIKey
ZQHCUMMPKDWFEP-UHFFFAOYSA-N
Molecular formula
C17H14O6S
Average molar mass
346.4 g/mol
Monoisotopic mass
346.05110934

Names & identifiers

Preferred name
3-(4-methoxybenzylsulfonyl)-7-hydroxy-2H-chromen-2-one
IUPAC
7-hydroxy-3-[(4-methoxyphenyl)methylsulfonyl]chromen-2-one

Names & synonyms

SCHEMBL831128ZQHCUMMPKDWFEP-UHFFFAOYSA-N3-(4-methoxybenzylsulfonyl)-7-hydroxy-2H-chromen-2-one

Database identifiers

PubChem CID
11645932

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
98.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
24

Related reactions

2 records
New reaction record

Linked notes

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