5-(4H-benzo[d][1,3]oxathiin-2-yl)-2,3-dimethoxyphenol

HCID 57750888
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Basic information

Standard SMILES
COc1cc(C2OCc3ccccc3S2)cc(O)c1OC
InChIKey
RMZSTKVHBVLWAW-UHFFFAOYSA-N
Molecular formula
C16H16O4S
Average molar mass
304.4 g/mol
Monoisotopic mass
304.07693016

Names & identifiers

Preferred name
5-(4H-benzo[d][1,3]oxathiin-2-yl)-2,3-dimethoxyphenol
IUPAC
5-(4H-3,1-benzoxathiin-2-yl)-2,3-dimethoxyphenol

Names & synonyms

SCHEMBL4009869RMZSTKVHBVLWAW-UHFFFAOYSA-N5-(4H-benzo[d][1,3]oxathiin-2-yl)-2,3-dimethoxyphenol

Database identifiers

PubChem CID
57750888

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
73.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
21

Related reactions

2 records
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Compound notes

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