2-(4-methoxyphenyl)chromenylium hexafluorophosphate

C16H13F6O2P — CID 44561729

IUPAC2-(4-methoxyphenyl)chromenylium hexafluorophosphate
SMILESCOc1ccc(-c2ccc3ccccc3[o+]2)cc1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C16H13O2.F6P/c1-17-14-9-6-13(7-10-14)16-11-8-12-4-2-3-5-15(12)18-16;1-7(2,3,4,5)6/h2-11H,1H3;/q+1;-1
InChIKeyKONXKFYGTUIFOF-UHFFFAOYSA-N
MW382.24 g/mol
LogP7.77
Rot. Bonds2

About 2-(4-methoxyphenyl)chromenylium hexafluorophosphate

2-(4-methoxyphenyl)chromenylium hexafluorophosphate (PubChem CID 44561729) has the molecular formula C16H13F6O2P and a molecular weight of 382.24 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)chromenylium hexafluorophosphate.

Molecular Properties

Compound Name2-(4-methoxyphenyl)chromenylium hexafluorophosphate
PubChem CID44561729
Molecular FormulaC16H13F6O2P
Molecular Weight382.24 g/mol
Exact Mass382.06
IUPAC Name2-(4-methoxyphenyl)chromenylium hexafluorophosphate
SMILESCOc1ccc(-c2ccc3ccccc3[o+]2)cc1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C16H13O2.F6P/c1-17-14-9-6-13(7-10-14)16-11-8-12-4-2-3-5-15(12)18-16;1-7(2,3,4,5)6/h2-11H,1H3;/q+1;-1
InChIKeyKONXKFYGTUIFOF-UHFFFAOYSA-N
XLogP7.77
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.24
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)chromenylium hexafluorophosphate?
The IUPAC name of 2-(4-methoxyphenyl)chromenylium hexafluorophosphate (CID 44561729) is 2-(4-methoxyphenyl)chromenylium hexafluorophosphate.
What is the SMILES notation for 2-(4-methoxyphenyl)chromenylium hexafluorophosphate?
The canonical SMILES for 2-(4-methoxyphenyl)chromenylium hexafluorophosphate is COc1ccc(-c2ccc3ccccc3[o+]2)cc1.F[P-](F)(F)(F)(F)F.
What is the InChIKey of 2-(4-methoxyphenyl)chromenylium hexafluorophosphate?
The InChIKey is KONXKFYGTUIFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13O2.F6P/c1-17-14-9-6-13(7-10-14)16-11-8-12-4-2-3-5-15(12)18-16;1-7(2,3,4,5)6/h2-11H,1H3;/q+1;-1.
What are the key properties of 2-(4-methoxyphenyl)chromenylium hexafluorophosphate?
2-(4-methoxyphenyl)chromenylium hexafluorophosphate has a molecular weight of 382.24 g/mol, XLogP of 7.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)chromenylium hexafluorophosphate is sourced from PubChem (CID 44561729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).