3-(4-fluorophenyl)-7-iodophosphanyloxychromen-4-one

C15H9FIO3P — CID 143768290

IUPAC3-(4-fluorophenyl)-7-iodophosphanyloxychromen-4-one
SMILESO=c1c(-c2ccc(F)cc2)coc2cc(OPI)ccc12
InChIInChI=1S/C15H9FIO3P/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(20-21-17)5-6-12(14)15(13)18/h1-8,21H
InChIKeyBKFDPIWTLQTMBK-UHFFFAOYSA-N
MW414.11 g/mol
LogP4.92
Rot. Bonds3

About 3-(4-fluorophenyl)-7-iodophosphanyloxychromen-4-one

3-(4-fluorophenyl)-7-iodophosphanyloxychromen-4-one (PubChem CID 143768290) has the molecular formula C15H9FIO3P and a molecular weight of 414.11 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-7-iodophosphanyloxychromen-4-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-7-iodophosphanyloxychromen-4-one
PubChem CID143768290
Molecular FormulaC15H9FIO3P
Molecular Weight414.11 g/mol
Exact Mass413.93
IUPAC Name3-(4-fluorophenyl)-7-iodophosphanyloxychromen-4-one
SMILESO=c1c(-c2ccc(F)cc2)coc2cc(OPI)ccc12
InChIInChI=1S/C15H9FIO3P/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(20-21-17)5-6-12(14)15(13)18/h1-8,21H
InChIKeyBKFDPIWTLQTMBK-UHFFFAOYSA-N
XLogP4.92
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.11
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-fluorophenyl)-7-iodophosphanyloxychromen-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 3-(4-fluorophenyl)-7-iodophosphanyloxychromen-4-one?
The IUPAC name of 3-(4-fluorophenyl)-7-iodophosphanyloxychromen-4-one (CID 143768290) is 3-(4-fluorophenyl)-7-iodophosphanyloxychromen-4-one.
What is the SMILES notation for 3-(4-fluorophenyl)-7-iodophosphanyloxychromen-4-one?
The canonical SMILES for 3-(4-fluorophenyl)-7-iodophosphanyloxychromen-4-one is O=c1c(-c2ccc(F)cc2)coc2cc(OPI)ccc12.
What is the InChIKey of 3-(4-fluorophenyl)-7-iodophosphanyloxychromen-4-one?
The InChIKey is BKFDPIWTLQTMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FIO3P/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(20-21-17)5-6-12(14)15(13)18/h1-8,21H.
What are the key properties of 3-(4-fluorophenyl)-7-iodophosphanyloxychromen-4-one?
3-(4-fluorophenyl)-7-iodophosphanyloxychromen-4-one has a molecular weight of 414.11 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-7-iodophosphanyloxychromen-4-one is sourced from PubChem (CID 143768290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).