4a,6-dihydroxy-5-methoxyfluorene-2,4,9-trione

C14H10O6 — CID 91387906

IUPAC4a,6-dihydroxy-5-methoxyfluorene-2,4,9-trione
SMILESCOc1c(O)ccc2c1C1(O)C(=O)CC(=O)C=C1C2=O
InChIInChI=1S/C14H10O6/c1-20-13-9(16)3-2-7-11(13)14(19)8(12(7)18)4-6(15)5-10(14)17/h2-4,16,19H,5H2,1H3
InChIKeyJRHNPNWXGOAACU-UHFFFAOYSA-N
MW274.23 g/mol
LogP0.25
Rot. Bonds1

About 4a,6-dihydroxy-5-methoxyfluorene-2,4,9-trione

4a,6-dihydroxy-5-methoxyfluorene-2,4,9-trione (PubChem CID 91387906) has the molecular formula C14H10O6 and a molecular weight of 274.23 g/mol. Its IUPAC name is 4a,6-dihydroxy-5-methoxyfluorene-2,4,9-trione.

Molecular Properties

Compound Name4a,6-dihydroxy-5-methoxyfluorene-2,4,9-trione
PubChem CID91387906
Molecular FormulaC14H10O6
Molecular Weight274.23 g/mol
Exact Mass274.05
IUPAC Name4a,6-dihydroxy-5-methoxyfluorene-2,4,9-trione
SMILESCOc1c(O)ccc2c1C1(O)C(=O)CC(=O)C=C1C2=O
InChIInChI=1S/C14H10O6/c1-20-13-9(16)3-2-7-11(13)14(19)8(12(7)18)4-6(15)5-10(14)17/h2-4,16,19H,5H2,1H3
InChIKeyJRHNPNWXGOAACU-UHFFFAOYSA-N
XLogP0.25
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4a,6-dihydroxy-5-methoxyfluorene-2,4,9-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4a,6-dihydroxy-5-methoxyfluorene-2,4,9-trione?
The IUPAC name of 4a,6-dihydroxy-5-methoxyfluorene-2,4,9-trione (CID 91387906) is 4a,6-dihydroxy-5-methoxyfluorene-2,4,9-trione.
What is the SMILES notation for 4a,6-dihydroxy-5-methoxyfluorene-2,4,9-trione?
The canonical SMILES for 4a,6-dihydroxy-5-methoxyfluorene-2,4,9-trione is COc1c(O)ccc2c1C1(O)C(=O)CC(=O)C=C1C2=O.
What is the InChIKey of 4a,6-dihydroxy-5-methoxyfluorene-2,4,9-trione?
The InChIKey is JRHNPNWXGOAACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O6/c1-20-13-9(16)3-2-7-11(13)14(19)8(12(7)18)4-6(15)5-10(14)17/h2-4,16,19H,5H2,1H3.
What are the key properties of 4a,6-dihydroxy-5-methoxyfluorene-2,4,9-trione?
4a,6-dihydroxy-5-methoxyfluorene-2,4,9-trione has a molecular weight of 274.23 g/mol, XLogP of 0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,6-dihydroxy-5-methoxyfluorene-2,4,9-trione is sourced from PubChem (CID 91387906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).