7-hydroxy-3-(7-hydroxy-2-oxochromen-3-yl)sulfonylchromen-2-one

C18H10O8S — CID 11703726

IUPAC7-hydroxy-3-(7-hydroxy-2-oxochromen-3-yl)sulfonylchromen-2-one
SMILESO=c1oc2cc(O)ccc2cc1S(=O)(=O)c1cc2ccc(O)cc2oc1=O
InChIInChI=1S/C18H10O8S/c19-11-3-1-9-5-15(17(21)25-13(9)7-11)27(23,24)16-6-10-2-4-12(20)8-14(10)26-18(16)22/h1-8,19-20H
InChIKeyJOWCWDKOFVFIRH-UHFFFAOYSA-N
MW386.34 g/mol
LogP2.14
Rot. Bonds2

About 7-hydroxy-3-(7-hydroxy-2-oxochromen-3-yl)sulfonylchromen-2-one

7-hydroxy-3-(7-hydroxy-2-oxochromen-3-yl)sulfonylchromen-2-one (PubChem CID 11703726) has the molecular formula C18H10O8S and a molecular weight of 386.34 g/mol. Its IUPAC name is 7-hydroxy-3-(7-hydroxy-2-oxochromen-3-yl)sulfonylchromen-2-one.

Molecular Properties

Compound Name7-hydroxy-3-(7-hydroxy-2-oxochromen-3-yl)sulfonylchromen-2-one
PubChem CID11703726
Molecular FormulaC18H10O8S
Molecular Weight386.34 g/mol
Exact Mass386.01
IUPAC Name7-hydroxy-3-(7-hydroxy-2-oxochromen-3-yl)sulfonylchromen-2-one
SMILESO=c1oc2cc(O)ccc2cc1S(=O)(=O)c1cc2ccc(O)cc2oc1=O
InChIInChI=1S/C18H10O8S/c19-11-3-1-9-5-15(17(21)25-13(9)7-11)27(23,24)16-6-10-2-4-12(20)8-14(10)26-18(16)22/h1-8,19-20H
InChIKeyJOWCWDKOFVFIRH-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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Related Compounds

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CID 5281426
4,7-Dihydroxycoumarin
CID 54679630
Esuprone
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Serratin
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2H-1-Benzopyran-2-one, 5,7-dihydroxy-
CID 5324654
7-hydroxy-8-methyl-4-phenyl-2H-chromen-2-one
CID 5336569
7,7'-Dihydroxy-6,8'-bicoumarin
CID 21588200
7-Hydroxy-4-phenylcoumarin
CID 5357479
Edgeworin
CID 10925304
Coumarin, 7-phenylsulfonyloxy-
CID 555203
3,4-Dimethyl-2-oxo-2H-1-benzopyran-7-yl benzenesulfonate
CID 13309301
7-Hydroxy-4-(4-methoxyphenyl)chromen-2-one
CID 5350173

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-(7-hydroxy-2-oxochromen-3-yl)sulfonylchromen-2-one?
The IUPAC name of 7-hydroxy-3-(7-hydroxy-2-oxochromen-3-yl)sulfonylchromen-2-one (CID 11703726) is 7-hydroxy-3-(7-hydroxy-2-oxochromen-3-yl)sulfonylchromen-2-one.
What is the SMILES notation for 7-hydroxy-3-(7-hydroxy-2-oxochromen-3-yl)sulfonylchromen-2-one?
The canonical SMILES for 7-hydroxy-3-(7-hydroxy-2-oxochromen-3-yl)sulfonylchromen-2-one is O=c1oc2cc(O)ccc2cc1S(=O)(=O)c1cc2ccc(O)cc2oc1=O.
What is the InChIKey of 7-hydroxy-3-(7-hydroxy-2-oxochromen-3-yl)sulfonylchromen-2-one?
The InChIKey is JOWCWDKOFVFIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10O8S/c19-11-3-1-9-5-15(17(21)25-13(9)7-11)27(23,24)16-6-10-2-4-12(20)8-14(10)26-18(16)22/h1-8,19-20H.
What are the key properties of 7-hydroxy-3-(7-hydroxy-2-oxochromen-3-yl)sulfonylchromen-2-one?
7-hydroxy-3-(7-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 7-hydroxy-3-(7-hydroxy-2-oxochromen-3-yl)sulfonylchromen-2-one is sourced from PubChem (CID 11703726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).