6,8-dichloro-3-(6,8-dichloro-4-hydroxy-2-oxochromen-3-yl)-2-hydroxy-2,3-dihydrofuro[3,2-c]chromen-4-one

C20H8Cl4O7 — CID 54705215

IUPAC6,8-dichloro-3-(6,8-dichloro-4-hydroxy-2-oxochromen-3-yl)-2-hydroxy-2,3-dihydrofuro[3,2-c]chromen-4-one
SMILESO=c1oc2c(Cl)cc(Cl)cc2c(O)c1C1c2c(c3cc(Cl)cc(Cl)c3oc2=O)OC1O
InChIInChI=1S/C20H8Cl4O7/c21-5-1-7-14(25)12(19(27)29-15(7)9(23)3-5)11-13-17(31-18(11)26)8-2-6(22)4-10(24)16(8)30-20(13)28/h1-4,11,18,25-26H
InChIKeyUSNWJEXICRTMGG-UHFFFAOYSA-N
MW502.09 g/mol
LogP5.06
Rot. Bonds1

About 6,8-dichloro-3-(6,8-dichloro-4-hydroxy-2-oxochromen-3-yl)-2-hydroxy-2,3-dihydrofuro[3,2-c]chromen-4-one

6,8-dichloro-3-(6,8-dichloro-4-hydroxy-2-oxochromen-3-yl)-2-hydroxy-2,3-dihydrofuro[3,2-c]chromen-4-one (PubChem CID 54705215) has the molecular formula C20H8Cl4O7 and a molecular weight of 502.09 g/mol. Its IUPAC name is 6,8-dichloro-3-(6,8-dichloro-4-hydroxy-2-oxochromen-3-yl)-2-hydroxy-2,3-dihydrofuro[3,2-c]chromen-4-one.

Molecular Properties

Compound Name6,8-dichloro-3-(6,8-dichloro-4-hydroxy-2-oxochromen-3-yl)-2-hydroxy-2,3-dihydrofuro[3,2-c]chromen-4-one
PubChem CID54705215
Molecular FormulaC20H8Cl4O7
Molecular Weight502.09 g/mol
Exact Mass499.90
IUPAC Name6,8-dichloro-3-(6,8-dichloro-4-hydroxy-2-oxochromen-3-yl)-2-hydroxy-2,3-dihydrofuro[3,2-c]chromen-4-one
SMILESO=c1oc2c(Cl)cc(Cl)cc2c(O)c1C1c2c(c3cc(Cl)cc(Cl)c3oc2=O)OC1O
InChIInChI=1S/C20H8Cl4O7/c21-5-1-7-14(25)12(19(27)29-15(7)9(23)3-5)11-13-17(31-18(11)26)8-2-6(22)4-10(24)16(8)30-20(13)28/h1-4,11,18,25-26H
InChIKeyUSNWJEXICRTMGG-UHFFFAOYSA-N
XLogP5.06
TPSA110.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.09
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-3-(6,8-dichloro-4-hydroxy-2-oxochromen-3-yl)-2-hydroxy-2,3-dihydrofuro[3,2-c]chromen-4-one?
The IUPAC name of 6,8-dichloro-3-(6,8-dichloro-4-hydroxy-2-oxochromen-3-yl)-2-hydroxy-2,3-dihydrofuro[3,2-c]chromen-4-one (CID 54705215) is 6,8-dichloro-3-(6,8-dichloro-4-hydroxy-2-oxochromen-3-yl)-2-hydroxy-2,3-dihydrofuro[3,2-c]chromen-4-one.
What is the SMILES notation for 6,8-dichloro-3-(6,8-dichloro-4-hydroxy-2-oxochromen-3-yl)-2-hydroxy-2,3-dihydrofuro[3,2-c]chromen-4-one?
The canonical SMILES for 6,8-dichloro-3-(6,8-dichloro-4-hydroxy-2-oxochromen-3-yl)-2-hydroxy-2,3-dihydrofuro[3,2-c]chromen-4-one is O=c1oc2c(Cl)cc(Cl)cc2c(O)c1C1c2c(c3cc(Cl)cc(Cl)c3oc2=O)OC1O.
What is the InChIKey of 6,8-dichloro-3-(6,8-dichloro-4-hydroxy-2-oxochromen-3-yl)-2-hydroxy-2,3-dihydrofuro[3,2-c]chromen-4-one?
The InChIKey is USNWJEXICRTMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H8Cl4O7/c21-5-1-7-14(25)12(19(27)29-15(7)9(23)3-5)11-13-17(31-18(11)26)8-2-6(22)4-10(24)16(8)30-20(13)28/h1-4,11,18,25-26H.
What are the key properties of 6,8-dichloro-3-(6,8-dichloro-4-hydroxy-2-oxochromen-3-yl)-2-hydroxy-2,3-dihydrofuro[3,2-c]chromen-4-one?
6,8-dichloro-3-(6,8-dichloro-4-hydroxy-2-oxochromen-3-yl)-2-hydroxy-2,3-dihydrofuro[3,2-c]chromen-4-one has a molecular weight of 502.09 g/mol, XLogP of 5.06, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-3-(6,8-dichloro-4-hydroxy-2-oxochromen-3-yl)-2-hydroxy-2,3-dihydrofuro[3,2-c]chromen-4-one is sourced from PubChem (CID 54705215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).