3-hydroxy-1-iodoxanthen-9-one

C13H7IO3 — CID 15499988

IUPAC3-hydroxy-1-iodoxanthen-9-one
SMILESO=c1c2ccccc2oc2cc(O)cc(I)c12
InChIInChI=1S/C13H7IO3/c14-9-5-7(15)6-11-12(9)13(16)8-3-1-2-4-10(8)17-11/h1-6,15H
InChIKeyAWUPOHYOZXEASB-UHFFFAOYSA-N
MW338.10 g/mol
LogP3.26
Rot. Bonds

About 3-hydroxy-1-iodoxanthen-9-one

3-hydroxy-1-iodoxanthen-9-one (PubChem CID 15499988) has the molecular formula C13H7IO3 and a molecular weight of 338.10 g/mol. Its IUPAC name is 3-hydroxy-1-iodoxanthen-9-one.

Molecular Properties

Compound Name3-hydroxy-1-iodoxanthen-9-one
PubChem CID15499988
Molecular FormulaC13H7IO3
Molecular Weight338.10 g/mol
Exact Mass337.94
IUPAC Name3-hydroxy-1-iodoxanthen-9-one
SMILESO=c1c2ccccc2oc2cc(O)cc(I)c12
InChIInChI=1S/C13H7IO3/c14-9-5-7(15)6-11-12(9)13(16)8-3-1-2-4-10(8)17-11/h1-6,15H
InChIKeyAWUPOHYOZXEASB-UHFFFAOYSA-N
XLogP3.26
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.10
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-hydroxy-1-iodoxanthen-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

Related Compounds

1,3-dihydroxyxanthen-9-one
CID 5488193
1-chloro-9-oxoxanthene-3-carboxylic acid
CID 141148517
2,3-bis(4-hydroxyphenyl)xanthen-9-one
CID 52942637
3-[(4-fluorophenyl)methoxy]-1-hydroxyxanthen-9-one
CID 6226763
trifluoromethanesulfonic acid;xanthen-9-one
CID 161488852
8-hydroxybenzo[b]xanthen-12-one
CID 135167525
1,2-dimethoxy-3-methylxanthen-9-one
CID 174891108
1,2-dimethyl-3-phenylxanthen-9-one
CID 10732980
2,4-diiodoxanthen-9-one
CID 172504971
propane;xanthen-9-one
CID 90876458
5,7-dihydroxy-2-phenylchromen-4-one;2-phenylchromen-4-one
CID 68816707
3-[2-(4-hydroxyphenyl)ethenyl]xanthen-9-one
CID 174928168

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-iodoxanthen-9-one?
The IUPAC name of 3-hydroxy-1-iodoxanthen-9-one (CID 15499988) is 3-hydroxy-1-iodoxanthen-9-one.
What is the SMILES notation for 3-hydroxy-1-iodoxanthen-9-one?
The canonical SMILES for 3-hydroxy-1-iodoxanthen-9-one is O=c1c2ccccc2oc2cc(O)cc(I)c12.
What is the InChIKey of 3-hydroxy-1-iodoxanthen-9-one?
The InChIKey is AWUPOHYOZXEASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7IO3/c14-9-5-7(15)6-11-12(9)13(16)8-3-1-2-4-10(8)17-11/h1-6,15H.
What are the key properties of 3-hydroxy-1-iodoxanthen-9-one?
3-hydroxy-1-iodoxanthen-9-one has a molecular weight of 338.10 g/mol, XLogP of 3.26, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-iodoxanthen-9-one is sourced from PubChem (CID 15499988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).