6-hydroxy-3-(8-hydroxy-4-oxofuro[3,2-c]chromen-2-yl)chromene-2,4-dione

C20H10O8 — CID 11222665

IUPAC6-hydroxy-3-(8-hydroxy-4-oxofuro[3,2-c]chromen-2-yl)chromene-2,4-dione
SMILESO=C1Oc2ccc(O)cc2C(=O)C1c1cc2c(=O)oc3ccc(O)cc3c2o1
InChIInChI=1S/C20H10O8/c21-8-1-3-13-10(5-8)17(23)16(20(25)28-13)15-7-12-18(26-15)11-6-9(22)2-4-14(11)27-19(12)24/h1-7,16,21-22H
InChIKeyHQAGZZNVXZQTHE-UHFFFAOYSA-N
MW378.29 g/mol
LogP2.84
Rot. Bonds1

About 6-hydroxy-3-(8-hydroxy-4-oxofuro[3,2-c]chromen-2-yl)chromene-2,4-dione

6-hydroxy-3-(8-hydroxy-4-oxofuro[3,2-c]chromen-2-yl)chromene-2,4-dione (PubChem CID 11222665) has the molecular formula C20H10O8 and a molecular weight of 378.29 g/mol. Its IUPAC name is 6-hydroxy-3-(8-hydroxy-4-oxofuro[3,2-c]chromen-2-yl)chromene-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-3-(8-hydroxy-4-oxofuro[3,2-c]chromen-2-yl)chromene-2,4-dione
PubChem CID11222665
Molecular FormulaC20H10O8
Molecular Weight378.29 g/mol
Exact Mass378.04
IUPAC Name6-hydroxy-3-(8-hydroxy-4-oxofuro[3,2-c]chromen-2-yl)chromene-2,4-dione
SMILESO=C1Oc2ccc(O)cc2C(=O)C1c1cc2c(=O)oc3ccc(O)cc3c2o1
InChIInChI=1S/C20H10O8/c21-8-1-3-13-10(5-8)17(23)16(20(25)28-13)15-7-12-18(26-15)11-6-9(22)2-4-14(11)27-19(12)24/h1-7,16,21-22H
InChIKeyHQAGZZNVXZQTHE-UHFFFAOYSA-N
XLogP2.84
TPSA127.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.29
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-(8-hydroxy-4-oxofuro[3,2-c]chromen-2-yl)chromene-2,4-dione?
The IUPAC name of 6-hydroxy-3-(8-hydroxy-4-oxofuro[3,2-c]chromen-2-yl)chromene-2,4-dione (CID 11222665) is 6-hydroxy-3-(8-hydroxy-4-oxofuro[3,2-c]chromen-2-yl)chromene-2,4-dione.
What is the SMILES notation for 6-hydroxy-3-(8-hydroxy-4-oxofuro[3,2-c]chromen-2-yl)chromene-2,4-dione?
The canonical SMILES for 6-hydroxy-3-(8-hydroxy-4-oxofuro[3,2-c]chromen-2-yl)chromene-2,4-dione is O=C1Oc2ccc(O)cc2C(=O)C1c1cc2c(=O)oc3ccc(O)cc3c2o1.
What is the InChIKey of 6-hydroxy-3-(8-hydroxy-4-oxofuro[3,2-c]chromen-2-yl)chromene-2,4-dione?
The InChIKey is HQAGZZNVXZQTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10O8/c21-8-1-3-13-10(5-8)17(23)16(20(25)28-13)15-7-12-18(26-15)11-6-9(22)2-4-14(11)27-19(12)24/h1-7,16,21-22H.
What are the key properties of 6-hydroxy-3-(8-hydroxy-4-oxofuro[3,2-c]chromen-2-yl)chromene-2,4-dione?
6-hydroxy-3-(8-hydroxy-4-oxofuro[3,2-c]chromen-2-yl)chromene-2,4-dione has a molecular weight of 378.29 g/mol, XLogP of 2.84, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-(8-hydroxy-4-oxofuro[3,2-c]chromen-2-yl)chromene-2,4-dione is sourced from PubChem (CID 11222665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).