4-(2,4-dihydroxyphenyl)sulfinylbenzene-1,3-diol

C12H10O5S — CID 5044578

IUPAC4-(2,4-dihydroxyphenyl)sulfinylbenzene-1,3-diol
SMILESO=S(c1ccc(O)cc1O)c1ccc(O)cc1O
InChIInChI=1S/C12H10O5S/c13-7-1-3-11(9(15)5-7)18(17)12-4-2-8(14)6-10(12)16/h1-6,13-16H
InChIKeyYNHHSHCJKICJLU-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.68
Rot. Bonds2

About 4-(2,4-dihydroxyphenyl)sulfinylbenzene-1,3-diol

4-(2,4-dihydroxyphenyl)sulfinylbenzene-1,3-diol (PubChem CID 5044578) has the molecular formula C12H10O5S and a molecular weight of 266.27 g/mol. Its IUPAC name is 4-(2,4-dihydroxyphenyl)sulfinylbenzene-1,3-diol.

Molecular Properties

Compound Name4-(2,4-dihydroxyphenyl)sulfinylbenzene-1,3-diol
PubChem CID5044578
Molecular FormulaC12H10O5S
Molecular Weight266.27 g/mol
Exact Mass266.02
IUPAC Name4-(2,4-dihydroxyphenyl)sulfinylbenzene-1,3-diol
SMILESO=S(c1ccc(O)cc1O)c1ccc(O)cc1O
InChIInChI=1S/C12H10O5S/c13-7-1-3-11(9(15)5-7)18(17)12-4-2-8(14)6-10(12)16/h1-6,13-16H
InChIKeyYNHHSHCJKICJLU-UHFFFAOYSA-N
XLogP1.68
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dihydroxyphenyl)sulfinylbenzene-1,3-diol?
The IUPAC name of 4-(2,4-dihydroxyphenyl)sulfinylbenzene-1,3-diol (CID 5044578) is 4-(2,4-dihydroxyphenyl)sulfinylbenzene-1,3-diol.
What is the SMILES notation for 4-(2,4-dihydroxyphenyl)sulfinylbenzene-1,3-diol?
The canonical SMILES for 4-(2,4-dihydroxyphenyl)sulfinylbenzene-1,3-diol is O=S(c1ccc(O)cc1O)c1ccc(O)cc1O.
What is the InChIKey of 4-(2,4-dihydroxyphenyl)sulfinylbenzene-1,3-diol?
The InChIKey is YNHHSHCJKICJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O5S/c13-7-1-3-11(9(15)5-7)18(17)12-4-2-8(14)6-10(12)16/h1-6,13-16H.
What are the key properties of 4-(2,4-dihydroxyphenyl)sulfinylbenzene-1,3-diol?
4-(2,4-dihydroxyphenyl)sulfinylbenzene-1,3-diol has a molecular weight of 266.27 g/mol, XLogP of 1.68, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dihydroxyphenyl)sulfinylbenzene-1,3-diol is sourced from PubChem (CID 5044578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).