7-iodophosphanyloxy-3-(4-methoxy-3,5-dimethylphenyl)chromen-4-one

C18H16IO4P — CID 143768270

IUPAC7-iodophosphanyloxy-3-(4-methoxy-3,5-dimethylphenyl)chromen-4-one
SMILESCOc1c(C)cc(-c2coc3cc(OPI)ccc3c2=O)cc1C
InChIInChI=1S/C18H16IO4P/c1-10-6-12(7-11(2)18(10)21-3)15-9-22-16-8-13(23-24-19)4-5-14(16)17(15)20/h4-9,24H,1-3H3
InChIKeyXVBXMAHACRRWFC-UHFFFAOYSA-N
MW454.20 g/mol
LogP5.41
Rot. Bonds4

About 7-iodophosphanyloxy-3-(4-methoxy-3,5-dimethylphenyl)chromen-4-one

7-iodophosphanyloxy-3-(4-methoxy-3,5-dimethylphenyl)chromen-4-one (PubChem CID 143768270) has the molecular formula C18H16IO4P and a molecular weight of 454.20 g/mol. Its IUPAC name is 7-iodophosphanyloxy-3-(4-methoxy-3,5-dimethylphenyl)chromen-4-one.

Molecular Properties

Compound Name7-iodophosphanyloxy-3-(4-methoxy-3,5-dimethylphenyl)chromen-4-one
PubChem CID143768270
Molecular FormulaC18H16IO4P
Molecular Weight454.20 g/mol
Exact Mass453.98
IUPAC Name7-iodophosphanyloxy-3-(4-methoxy-3,5-dimethylphenyl)chromen-4-one
SMILESCOc1c(C)cc(-c2coc3cc(OPI)ccc3c2=O)cc1C
InChIInChI=1S/C18H16IO4P/c1-10-6-12(7-11(2)18(10)21-3)15-9-22-16-8-13(23-24-19)4-5-14(16)17(15)20/h4-9,24H,1-3H3
InChIKeyXVBXMAHACRRWFC-UHFFFAOYSA-N
XLogP5.41
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.20
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-iodophosphanyloxy-3-(4-methoxy-3,5-dimethylphenyl)chromen-4-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 7-iodophosphanyloxy-3-(4-methoxy-3,5-dimethylphenyl)chromen-4-one?
The IUPAC name of 7-iodophosphanyloxy-3-(4-methoxy-3,5-dimethylphenyl)chromen-4-one (CID 143768270) is 7-iodophosphanyloxy-3-(4-methoxy-3,5-dimethylphenyl)chromen-4-one.
What is the SMILES notation for 7-iodophosphanyloxy-3-(4-methoxy-3,5-dimethylphenyl)chromen-4-one?
The canonical SMILES for 7-iodophosphanyloxy-3-(4-methoxy-3,5-dimethylphenyl)chromen-4-one is COc1c(C)cc(-c2coc3cc(OPI)ccc3c2=O)cc1C.
What is the InChIKey of 7-iodophosphanyloxy-3-(4-methoxy-3,5-dimethylphenyl)chromen-4-one?
The InChIKey is XVBXMAHACRRWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16IO4P/c1-10-6-12(7-11(2)18(10)21-3)15-9-22-16-8-13(23-24-19)4-5-14(16)17(15)20/h4-9,24H,1-3H3.
What are the key properties of 7-iodophosphanyloxy-3-(4-methoxy-3,5-dimethylphenyl)chromen-4-one?
7-iodophosphanyloxy-3-(4-methoxy-3,5-dimethylphenyl)chromen-4-one has a molecular weight of 454.20 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodophosphanyloxy-3-(4-methoxy-3,5-dimethylphenyl)chromen-4-one is sourced from PubChem (CID 143768270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).