ethane;6-hydroxy-1,9-dimethylxanthen-3-one

C17H18O3 — CID 56637418

IUPACethane;6-hydroxy-1,9-dimethylxanthen-3-one
SMILESCC.Cc1cc(=O)cc2oc3cc(O)ccc3c(C)c1-2
InChIInChI=1S/C15H12O3.C2H6/c1-8-5-11(17)7-14-15(8)9(2)12-4-3-10(16)6-13(12)18-14;1-2/h3-7,16H,1-2H3;1-2H3
InChIKeyCSUMINZREPTBKT-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.25
Rot. Bonds

About ethane;6-hydroxy-1,9-dimethylxanthen-3-one

ethane;6-hydroxy-1,9-dimethylxanthen-3-one (PubChem CID 56637418) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is ethane;6-hydroxy-1,9-dimethylxanthen-3-one.

Molecular Properties

Compound Nameethane;6-hydroxy-1,9-dimethylxanthen-3-one
PubChem CID56637418
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Nameethane;6-hydroxy-1,9-dimethylxanthen-3-one
SMILESCC.Cc1cc(=O)cc2oc3cc(O)ccc3c(C)c1-2
InChIInChI=1S/C15H12O3.C2H6/c1-8-5-11(17)7-14-15(8)9(2)12-4-3-10(16)6-13(12)18-14;1-2/h3-7,16H,1-2H3;1-2H3
InChIKeyCSUMINZREPTBKT-UHFFFAOYSA-N
XLogP4.25
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze ethane;6-hydroxy-1,9-dimethylxanthen-3-one 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 ethane;6-hydroxy-1,9-dimethylxanthen-3-one?
The IUPAC name of ethane;6-hydroxy-1,9-dimethylxanthen-3-one (CID 56637418) is ethane;6-hydroxy-1,9-dimethylxanthen-3-one.
What is the SMILES notation for ethane;6-hydroxy-1,9-dimethylxanthen-3-one?
The canonical SMILES for ethane;6-hydroxy-1,9-dimethylxanthen-3-one is CC.Cc1cc(=O)cc2oc3cc(O)ccc3c(C)c1-2.
What is the InChIKey of ethane;6-hydroxy-1,9-dimethylxanthen-3-one?
The InChIKey is CSUMINZREPTBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3.C2H6/c1-8-5-11(17)7-14-15(8)9(2)12-4-3-10(16)6-13(12)18-14;1-2/h3-7,16H,1-2H3;1-2H3.
What are the key properties of ethane;6-hydroxy-1,9-dimethylxanthen-3-one?
ethane;6-hydroxy-1,9-dimethylxanthen-3-one has a molecular weight of 270.33 g/mol, XLogP of 4.25, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-hydroxy-1,9-dimethylxanthen-3-one is sourced from PubChem (CID 56637418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).