6-methoxy-2-phenylchromenylium hexafluorophosphate

C16H13F6O2P — CID 44561673

IUPAC6-methoxy-2-phenylchromenylium hexafluorophosphate
SMILESCOc1ccc2[o+]c(-c3ccccc3)ccc2c1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C16H13O2.F6P/c1-17-14-8-10-16-13(11-14)7-9-15(18-16)12-5-3-2-4-6-12;1-7(2,3,4,5)6/h2-11H,1H3;/q+1;-1
InChIKeyFCUJWNNBWSRMBO-UHFFFAOYSA-N
MW382.24 g/mol
LogP7.77
Rot. Bonds2

About 6-methoxy-2-phenylchromenylium hexafluorophosphate

6-methoxy-2-phenylchromenylium hexafluorophosphate (PubChem CID 44561673) has the molecular formula C16H13F6O2P and a molecular weight of 382.24 g/mol. Its IUPAC name is 6-methoxy-2-phenylchromenylium hexafluorophosphate.

Molecular Properties

Compound Name6-methoxy-2-phenylchromenylium hexafluorophosphate
PubChem CID44561673
Molecular FormulaC16H13F6O2P
Molecular Weight382.24 g/mol
Exact Mass382.06
IUPAC Name6-methoxy-2-phenylchromenylium hexafluorophosphate
SMILESCOc1ccc2[o+]c(-c3ccccc3)ccc2c1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C16H13O2.F6P/c1-17-14-8-10-16-13(11-14)7-9-15(18-16)12-5-3-2-4-6-12;1-7(2,3,4,5)6/h2-11H,1H3;/q+1;-1
InChIKeyFCUJWNNBWSRMBO-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 6-methoxy-2-phenylchromenylium hexafluorophosphate?
The IUPAC name of 6-methoxy-2-phenylchromenylium hexafluorophosphate (CID 44561673) is 6-methoxy-2-phenylchromenylium hexafluorophosphate.
What is the SMILES notation for 6-methoxy-2-phenylchromenylium hexafluorophosphate?
The canonical SMILES for 6-methoxy-2-phenylchromenylium hexafluorophosphate is COc1ccc2[o+]c(-c3ccccc3)ccc2c1.F[P-](F)(F)(F)(F)F.
What is the InChIKey of 6-methoxy-2-phenylchromenylium hexafluorophosphate?
The InChIKey is FCUJWNNBWSRMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13O2.F6P/c1-17-14-8-10-16-13(11-14)7-9-15(18-16)12-5-3-2-4-6-12;1-7(2,3,4,5)6/h2-11H,1H3;/q+1;-1.
What are the key properties of 6-methoxy-2-phenylchromenylium hexafluorophosphate?
6-methoxy-2-phenylchromenylium 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 6-methoxy-2-phenylchromenylium hexafluorophosphate is sourced from PubChem (CID 44561673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).