5-hydroxy-3-(4-methylsulfonylphenyl)-5H-pyrano[3,2-c]chromen-2-one

C19H14O6S — CID 45029172

IUPAC5-hydroxy-3-(4-methylsulfonylphenyl)-5H-pyrano[3,2-c]chromen-2-one
SMILESCS(=O)(=O)c1ccc(-c2cc3c(oc2=O)-c2ccccc2OC3O)cc1
InChIInChI=1S/C19H14O6S/c1-26(22,23)12-8-6-11(7-9-12)14-10-15-17(25-18(14)20)13-4-2-3-5-16(13)24-19(15)21/h2-10,19,21H,1H3
InChIKeyZARNNHBCYDNHSJ-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.76
Rot. Bonds2

About 5-hydroxy-3-(4-methylsulfonylphenyl)-5H-pyrano[3,2-c]chromen-2-one

5-hydroxy-3-(4-methylsulfonylphenyl)-5H-pyrano[3,2-c]chromen-2-one (PubChem CID 45029172) has the molecular formula C19H14O6S and a molecular weight of 370.38 g/mol. Its IUPAC name is 5-hydroxy-3-(4-methylsulfonylphenyl)-5H-pyrano[3,2-c]chromen-2-one.

Molecular Properties

Compound Name5-hydroxy-3-(4-methylsulfonylphenyl)-5H-pyrano[3,2-c]chromen-2-one
PubChem CID45029172
Molecular FormulaC19H14O6S
Molecular Weight370.38 g/mol
Exact Mass370.05
IUPAC Name5-hydroxy-3-(4-methylsulfonylphenyl)-5H-pyrano[3,2-c]chromen-2-one
SMILESCS(=O)(=O)c1ccc(-c2cc3c(oc2=O)-c2ccccc2OC3O)cc1
InChIInChI=1S/C19H14O6S/c1-26(22,23)12-8-6-11(7-9-12)14-10-15-17(25-18(14)20)13-4-2-3-5-16(13)24-19(15)21/h2-10,19,21H,1H3
InChIKeyZARNNHBCYDNHSJ-UHFFFAOYSA-N
XLogP2.76
TPSA93.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-(4-methylsulfonylphenyl)-5H-pyrano[3,2-c]chromen-2-one?
The IUPAC name of 5-hydroxy-3-(4-methylsulfonylphenyl)-5H-pyrano[3,2-c]chromen-2-one (CID 45029172) is 5-hydroxy-3-(4-methylsulfonylphenyl)-5H-pyrano[3,2-c]chromen-2-one.
What is the SMILES notation for 5-hydroxy-3-(4-methylsulfonylphenyl)-5H-pyrano[3,2-c]chromen-2-one?
The canonical SMILES for 5-hydroxy-3-(4-methylsulfonylphenyl)-5H-pyrano[3,2-c]chromen-2-one is CS(=O)(=O)c1ccc(-c2cc3c(oc2=O)-c2ccccc2OC3O)cc1.
What is the InChIKey of 5-hydroxy-3-(4-methylsulfonylphenyl)-5H-pyrano[3,2-c]chromen-2-one?
The InChIKey is ZARNNHBCYDNHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O6S/c1-26(22,23)12-8-6-11(7-9-12)14-10-15-17(25-18(14)20)13-4-2-3-5-16(13)24-19(15)21/h2-10,19,21H,1H3.
What are the key properties of 5-hydroxy-3-(4-methylsulfonylphenyl)-5H-pyrano[3,2-c]chromen-2-one?
5-hydroxy-3-(4-methylsulfonylphenyl)-5H-pyrano[3,2-c]chromen-2-one has a molecular weight of 370.38 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-(4-methylsulfonylphenyl)-5H-pyrano[3,2-c]chromen-2-one is sourced from PubChem (CID 45029172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).