1-fluoro-6-hydroxy-5-methylxanthen-9-one

C14H9FO3 — CID 15617002

IUPAC1-fluoro-6-hydroxy-5-methylxanthen-9-one
SMILESCc1c(O)ccc2c(=O)c3c(F)cccc3oc12
InChIInChI=1S/C14H9FO3/c1-7-10(16)6-5-8-13(17)12-9(15)3-2-4-11(12)18-14(7)8/h2-6,16H,1H3
InChIKeyZNZYYDBFBZKTJG-UHFFFAOYSA-N
MW244.22 g/mol
LogP3.10
Rot. Bonds

About 1-fluoro-6-hydroxy-5-methylxanthen-9-one

1-fluoro-6-hydroxy-5-methylxanthen-9-one (PubChem CID 15617002) has the molecular formula C14H9FO3 and a molecular weight of 244.22 g/mol. Its IUPAC name is 1-fluoro-6-hydroxy-5-methylxanthen-9-one.

Molecular Properties

Compound Name1-fluoro-6-hydroxy-5-methylxanthen-9-one
PubChem CID15617002
Molecular FormulaC14H9FO3
Molecular Weight244.22 g/mol
Exact Mass244.05
IUPAC Name1-fluoro-6-hydroxy-5-methylxanthen-9-one
SMILESCc1c(O)ccc2c(=O)c3c(F)cccc3oc12
InChIInChI=1S/C14H9FO3/c1-7-10(16)6-5-8-13(17)12-9(15)3-2-4-11(12)18-14(7)8/h2-6,16H,1H3
InChIKeyZNZYYDBFBZKTJG-UHFFFAOYSA-N
XLogP3.10
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-fluoro-6-hydroxy-5-methylxanthen-9-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 1-fluoro-6-hydroxy-5-methylxanthen-9-one?
The IUPAC name of 1-fluoro-6-hydroxy-5-methylxanthen-9-one (CID 15617002) is 1-fluoro-6-hydroxy-5-methylxanthen-9-one.
What is the SMILES notation for 1-fluoro-6-hydroxy-5-methylxanthen-9-one?
The canonical SMILES for 1-fluoro-6-hydroxy-5-methylxanthen-9-one is Cc1c(O)ccc2c(=O)c3c(F)cccc3oc12.
What is the InChIKey of 1-fluoro-6-hydroxy-5-methylxanthen-9-one?
The InChIKey is ZNZYYDBFBZKTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FO3/c1-7-10(16)6-5-8-13(17)12-9(15)3-2-4-11(12)18-14(7)8/h2-6,16H,1H3.
What are the key properties of 1-fluoro-6-hydroxy-5-methylxanthen-9-one?
1-fluoro-6-hydroxy-5-methylxanthen-9-one has a molecular weight of 244.22 g/mol, XLogP of 3.10, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-6-hydroxy-5-methylxanthen-9-one is sourced from PubChem (CID 15617002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).