5-(((4-Hydroxyphenyl)thio)methyl)-3-methoxy-1,2-benzenediol

HCID 384138
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Basic information

Standard SMILES
COc1cc(CSc2ccc(O)cc2)cc(O)c1O
InChIKey
DXDCVORKZNEAQQ-UHFFFAOYSA-N
Molecular formula
C14H14O4S
Average molar mass
278.33 g/mol

Names & identifiers

Preferred name
5-(((4-Hydroxyphenyl)thio)methyl)-3-methoxy-1,2-benzenediol
IUPAC
5-[(4-hydroxyphenyl)sulfanylmethyl]-3-methoxybenzene-1,2-diol

Names & synonyms

NSC673425SCHEMBL8529682CHEMBL1993726DXDCVORKZNEAQQ-UHFFFAOYSA-N5-(((4-Hydroxyphenyl)thio)methyl)-3-methoxy-1,2-benzenediolNSC-673425NCI60_0260013,4-Dihydroxy-5-methoxybenzyl 4-hydroxyphenyl thioether5-[(4-hydroxyphenyl)sulfanylmethyl]-3-methoxy-benzene-1,2-diol

Database identifiers

PubChem CID
384138
ChEMBL
CHEMBL1993726

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
95.2 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
19

Related reactions

1 records
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Compound notes

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