6-hydroxy-3-(6-hydroxy-2-oxochromen-3-yl)sulfonylchromen-2-one

C18H10O8S — CID 11682483

IUPAC6-hydroxy-3-(6-hydroxy-2-oxochromen-3-yl)sulfonylchromen-2-one
SMILESO=c1oc2ccc(O)cc2cc1S(=O)(=O)c1cc2cc(O)ccc2oc1=O
InChIInChI=1S/C18H10O8S/c19-11-1-3-13-9(5-11)7-15(17(21)25-13)27(23,24)16-8-10-6-12(20)2-4-14(10)26-18(16)22/h1-8,19-20H
InChIKeyCLBNXBKJTCRLLX-UHFFFAOYSA-N
MW386.34 g/mol
LogP2.14
Rot. Bonds2

About 6-hydroxy-3-(6-hydroxy-2-oxochromen-3-yl)sulfonylchromen-2-one

6-hydroxy-3-(6-hydroxy-2-oxochromen-3-yl)sulfonylchromen-2-one (PubChem CID 11682483) has the molecular formula C18H10O8S and a molecular weight of 386.34 g/mol. Its IUPAC name is 6-hydroxy-3-(6-hydroxy-2-oxochromen-3-yl)sulfonylchromen-2-one.

Molecular Properties

Compound Name6-hydroxy-3-(6-hydroxy-2-oxochromen-3-yl)sulfonylchromen-2-one
PubChem CID11682483
Molecular FormulaC18H10O8S
Molecular Weight386.34 g/mol
Exact Mass386.01
IUPAC Name6-hydroxy-3-(6-hydroxy-2-oxochromen-3-yl)sulfonylchromen-2-one
SMILESO=c1oc2ccc(O)cc2cc1S(=O)(=O)c1cc2cc(O)ccc2oc1=O
InChIInChI=1S/C18H10O8S/c19-11-1-3-13-9(5-11)7-15(17(21)25-13)27(23,24)16-8-10-6-12(20)2-4-14(10)26-18(16)22/h1-8,19-20H
InChIKeyCLBNXBKJTCRLLX-UHFFFAOYSA-N
XLogP2.14
TPSA135.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-(6-hydroxy-2-oxochromen-3-yl)sulfonylchromen-2-one?
The IUPAC name of 6-hydroxy-3-(6-hydroxy-2-oxochromen-3-yl)sulfonylchromen-2-one (CID 11682483) is 6-hydroxy-3-(6-hydroxy-2-oxochromen-3-yl)sulfonylchromen-2-one.
What is the SMILES notation for 6-hydroxy-3-(6-hydroxy-2-oxochromen-3-yl)sulfonylchromen-2-one?
The canonical SMILES for 6-hydroxy-3-(6-hydroxy-2-oxochromen-3-yl)sulfonylchromen-2-one is O=c1oc2ccc(O)cc2cc1S(=O)(=O)c1cc2cc(O)ccc2oc1=O.
What is the InChIKey of 6-hydroxy-3-(6-hydroxy-2-oxochromen-3-yl)sulfonylchromen-2-one?
The InChIKey is CLBNXBKJTCRLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10O8S/c19-11-1-3-13-9(5-11)7-15(17(21)25-13)27(23,24)16-8-10-6-12(20)2-4-14(10)26-18(16)22/h1-8,19-20H.
What are the key properties of 6-hydroxy-3-(6-hydroxy-2-oxochromen-3-yl)sulfonylchromen-2-one?
6-hydroxy-3-(6-hydroxy-2-oxochromen-3-yl)sulfonylchromen-2-one has a molecular weight of 386.34 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-(6-hydroxy-2-oxochromen-3-yl)sulfonylchromen-2-one is sourced from PubChem (CID 11682483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).