1-fluoro-3-methoxyxanthen-9-one

C14H9FO3 — CID 155932992

IUPAC1-fluoro-3-methoxyxanthen-9-one
SMILESCOc1cc(F)c2c(=O)c3ccccc3oc2c1
InChIInChI=1S/C14H9FO3/c1-17-8-6-10(15)13-12(7-8)18-11-5-3-2-4-9(11)14(13)16/h2-7H,1H3
InChIKeyPQMMTYRYQOFGDQ-UHFFFAOYSA-N
MW244.22 g/mol
LogP3.09
Rot. Bonds1

About 1-fluoro-3-methoxyxanthen-9-one

1-fluoro-3-methoxyxanthen-9-one (PubChem CID 155932992) has the molecular formula C14H9FO3 and a molecular weight of 244.22 g/mol. Its IUPAC name is 1-fluoro-3-methoxyxanthen-9-one.

Molecular Properties

Compound Name1-fluoro-3-methoxyxanthen-9-one
PubChem CID155932992
Molecular FormulaC14H9FO3
Molecular Weight244.22 g/mol
Exact Mass244.05
IUPAC Name1-fluoro-3-methoxyxanthen-9-one
SMILESCOc1cc(F)c2c(=O)c3ccccc3oc2c1
InChIInChI=1S/C14H9FO3/c1-17-8-6-10(15)13-12(7-8)18-11-5-3-2-4-9(11)14(13)16/h2-7H,1H3
InChIKeyPQMMTYRYQOFGDQ-UHFFFAOYSA-N
XLogP3.09
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2-dimethoxy-3-methylxanthen-9-one
CID 174891108
ethane-1,2-diol;2-methoxyxanthen-9-one
CID 126598327
2-(3,5-dimethoxyphenyl)-3-hydroxychromen-4-one
CID 66573994
3,4-dihydroxy-1-methoxyxanthen-9-one
CID 86220474
1,5-dihydroxy-3-methoxyxanthen-9-one
CID 5281651
3-[(4-fluorophenyl)methoxy]-1-hydroxyxanthen-9-one
CID 6226763
5-hydroxy-7-methoxy-2-phenylchromen-4-one;2-phenylchromen-4-one
CID 161118058
5-hydroxy-3,7-dimethoxy-2-phenylchromen-4-one
CID 139068259
propane;xanthen-9-one
CID 90876458
1,3-dihydroxyxanthen-9-one
CID 5488193
8,9-difluorobenzo[b]xanthen-12-one
CID 135167539
1,2-dimethyl-3-phenylxanthen-9-one
CID 10732980

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-methoxyxanthen-9-one?
The IUPAC name of 1-fluoro-3-methoxyxanthen-9-one (CID 155932992) is 1-fluoro-3-methoxyxanthen-9-one.
What is the SMILES notation for 1-fluoro-3-methoxyxanthen-9-one?
The canonical SMILES for 1-fluoro-3-methoxyxanthen-9-one is COc1cc(F)c2c(=O)c3ccccc3oc2c1.
What is the InChIKey of 1-fluoro-3-methoxyxanthen-9-one?
The InChIKey is PQMMTYRYQOFGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FO3/c1-17-8-6-10(15)13-12(7-8)18-11-5-3-2-4-9(11)14(13)16/h2-7H,1H3.
What are the key properties of 1-fluoro-3-methoxyxanthen-9-one?
1-fluoro-3-methoxyxanthen-9-one has a molecular weight of 244.22 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-methoxyxanthen-9-one is sourced from PubChem (CID 155932992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).