potassium;3-[4-[8-[1-(2-carboxyanilino)ethyl]-3,6-dimethyl-4-oxochromen-2-yl]phenyl]prop-2-enyl-methylphosphanide;ethane

C32H34KNO4P- — CID 166111131

About potassium;3-[4-[8-[1-(2-carboxyanilino)ethyl]-3,6-dimethyl-4-oxochromen-2-yl]phenyl]prop-2-enyl-methylphosphanide;ethane

potassium;3-[4-[8-[1-(2-carboxyanilino)ethyl]-3,6-dimethyl-4-oxochromen-2-yl]phenyl]prop-2-enyl-methylphosphanide;ethane (PubChem CID 166111131) has the molecular formula C32H34KNO4P- and a molecular weight of 566.70 g/mol. Its IUPAC name is potassium;3-[4-[8-[1-(2-carboxyanilino)ethyl]-3,6-dimethyl-4-oxochromen-2-yl]phenyl]prop-2-enyl-methylphosphanide;ethane.

Molecular Properties

• Compound Name: potassium;3-[4-[8-[1-(2-carboxyanilino)ethyl]-3,6-dimethyl-4-oxochromen-2-yl]phenyl]prop-2-enyl-methylphosphanide;ethane
• PubChem CID: 166111131
• Molecular Formula: C32H34KNO4P-
• Molecular Weight: 566.70 g/mol
• Exact Mass: 566.19
• IUPAC Name: potassium;3-[4-[8-[1-(2-carboxyanilino)ethyl]-3,6-dimethyl-4-oxochromen-2-yl]phenyl]prop-2-enyl-methylphosphanide;ethane
• SMILES: CC.C[P-]C/C=[C-]/c1ccc(-c2oc3c(C(C)Nc4ccccc4C(=O)O)cc(C)cc3c(=O)c2C)cc1.[K+]
• InChI: InChI=1S/C30H28NO4P.C2H6.K/c1-18-16-24(20(3)31-26-10-6-5-9-23(26)30(33)34)29-25(17-18)27(32)19(2)28(35-29)22-13-11-21(12-14-22)8-7-15-36-4;1-2;/h5-7,9-14,16-17,20,31H,15H2,1-4H3,(H,33,34);1-2H3;/q-2;;+1
• InChIKey: KQLSXYJXKURWKL-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 79.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.70
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;3-[4-[8-[1-(2-carboxyanilino)ethyl]-3,6-dimethyl-4-oxochromen-2-yl]phenyl]prop-2-enyl-methylphosphanide;ethane?

The IUPAC name of potassium;3-[4-[8-[1-(2-carboxyanilino)ethyl]-3,6-dimethyl-4-oxochromen-2-yl]phenyl]prop-2-enyl-methylphosphanide;ethane (CID 166111131) is potassium;3-[4-[8-[1-(2-carboxyanilino)ethyl]-3,6-dimethyl-4-oxochromen-2-yl]phenyl]prop-2-enyl-methylphosphanide;ethane.

What is the SMILES notation for potassium;3-[4-[8-[1-(2-carboxyanilino)ethyl]-3,6-dimethyl-4-oxochromen-2-yl]phenyl]prop-2-enyl-methylphosphanide;ethane?

The canonical SMILES for potassium;3-[4-[8-[1-(2-carboxyanilino)ethyl]-3,6-dimethyl-4-oxochromen-2-yl]phenyl]prop-2-enyl-methylphosphanide;ethane is CC.C[P-]C/C=[C-]/c1ccc(-c2oc3c(C(C)Nc4ccccc4C(=O)O)cc(C)cc3c(=O)c2C)cc1.[K+].

What is the InChIKey of potassium;3-[4-[8-[1-(2-carboxyanilino)ethyl]-3,6-dimethyl-4-oxochromen-2-yl]phenyl]prop-2-enyl-methylphosphanide;ethane?

The InChIKey is KQLSXYJXKURWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28NO4P.C2H6.K/c1-18-16-24(20(3)31-26-10-6-5-9-23(26)30(33)34)29-25(17-18)27(32)19(2)28(35-29)22-13-11-21(12-14-22)8-7-15-36-4;1-2;/h5-7,9-14,16-17,20,31H,15H2,1-4H3,(H,33,34);1-2H3;/q-2;;+1.

What are the key properties of potassium;3-[4-[8-[1-(2-carboxyanilino)ethyl]-3,6-dimethyl-4-oxochromen-2-yl]phenyl]prop-2-enyl-methylphosphanide;ethane?

potassium;3-[4-[8-[1-(2-carboxyanilino)ethyl]-3,6-dimethyl-4-oxochromen-2-yl]phenyl]prop-2-enyl-methylphosphanide;ethane has a molecular weight of 566.70 g/mol, XLogP of 5.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;3-[4-[8-[1-(2-carboxyanilino)ethyl]-3,6-dimethyl-4-oxochromen-2-yl]phenyl]prop-2-enyl-methylphosphanide;ethane is sourced from PubChem (CID 166111131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).