5-hydroxy-11-methoxy-2-methyl-8,9-dihydroindeno[5,6-h]chromene-4,10-dione

C18H14O5 — CID 71438742

IUPAC5-hydroxy-11-methoxy-2-methyl-8,9-dihydroindeno[5,6-h]chromene-4,10-dione
SMILESCOc1c2c(cc3cc(O)c4c(=O)cc(C)oc4c13)CCC2=O
InChIInChI=1S/C18H14O5/c1-8-5-12(20)16-13(21)7-10-6-9-3-4-11(19)14(9)17(22-2)15(10)18(16)23-8/h5-7,21H,3-4H2,1-2H3
InChIKeyPAPDLIMQTJVGKM-UHFFFAOYSA-N
MW310.31 g/mol
LogP3.10
Rot. Bonds1

About 5-hydroxy-11-methoxy-2-methyl-8,9-dihydroindeno[5,6-h]chromene-4,10-dione

5-hydroxy-11-methoxy-2-methyl-8,9-dihydroindeno[5,6-h]chromene-4,10-dione (PubChem CID 71438742) has the molecular formula C18H14O5 and a molecular weight of 310.31 g/mol. Its IUPAC name is 5-hydroxy-11-methoxy-2-methyl-8,9-dihydroindeno[5,6-h]chromene-4,10-dione.

Molecular Properties

Compound Name5-hydroxy-11-methoxy-2-methyl-8,9-dihydroindeno[5,6-h]chromene-4,10-dione
PubChem CID71438742
Molecular FormulaC18H14O5
Molecular Weight310.31 g/mol
Exact Mass310.08
IUPAC Name5-hydroxy-11-methoxy-2-methyl-8,9-dihydroindeno[5,6-h]chromene-4,10-dione
SMILESCOc1c2c(cc3cc(O)c4c(=O)cc(C)oc4c13)CCC2=O
InChIInChI=1S/C18H14O5/c1-8-5-12(20)16-13(21)7-10-6-9-3-4-11(19)14(9)17(22-2)15(10)18(16)23-8/h5-7,21H,3-4H2,1-2H3
InChIKeyPAPDLIMQTJVGKM-UHFFFAOYSA-N
XLogP3.10
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-11-methoxy-2-methyl-8,9-dihydroindeno[5,6-h]chromene-4,10-dione?
The IUPAC name of 5-hydroxy-11-methoxy-2-methyl-8,9-dihydroindeno[5,6-h]chromene-4,10-dione (CID 71438742) is 5-hydroxy-11-methoxy-2-methyl-8,9-dihydroindeno[5,6-h]chromene-4,10-dione.
What is the SMILES notation for 5-hydroxy-11-methoxy-2-methyl-8,9-dihydroindeno[5,6-h]chromene-4,10-dione?
The canonical SMILES for 5-hydroxy-11-methoxy-2-methyl-8,9-dihydroindeno[5,6-h]chromene-4,10-dione is COc1c2c(cc3cc(O)c4c(=O)cc(C)oc4c13)CCC2=O.
What is the InChIKey of 5-hydroxy-11-methoxy-2-methyl-8,9-dihydroindeno[5,6-h]chromene-4,10-dione?
The InChIKey is PAPDLIMQTJVGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O5/c1-8-5-12(20)16-13(21)7-10-6-9-3-4-11(19)14(9)17(22-2)15(10)18(16)23-8/h5-7,21H,3-4H2,1-2H3.
What are the key properties of 5-hydroxy-11-methoxy-2-methyl-8,9-dihydroindeno[5,6-h]chromene-4,10-dione?
5-hydroxy-11-methoxy-2-methyl-8,9-dihydroindeno[5,6-h]chromene-4,10-dione has a molecular weight of 310.31 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-11-methoxy-2-methyl-8,9-dihydroindeno[5,6-h]chromene-4,10-dione is sourced from PubChem (CID 71438742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).