[2-(4-methoxyphenyl)-4-phenyl-4H-chromen-3-yl]methyl-dimethylazanium chloride

C25H26ClNO2 — CID 2869420

IUPAC[2-(4-methoxyphenyl)-4-phenyl-4H-chromen-3-yl]methyl-dimethylazanium chloride
SMILESCOc1ccc(C2=C(C[NH+](C)C)C(c3ccccc3)c3ccccc3O2)cc1.[Cl-]
InChIInChI=1S/C25H25NO2.ClH/c1-26(2)17-22-24(18-9-5-4-6-10-18)21-11-7-8-12-23(21)28-25(22)19-13-15-20(27-3)16-14-19;/h4-16,24H,17H2,1-3H3;1H
InChIKeyFRKZUJDIVDJLRT-UHFFFAOYSA-N
MW407.94 g/mol
LogP0.78
Rot. Bonds5

About [2-(4-methoxyphenyl)-4-phenyl-4H-chromen-3-yl]methyl-dimethylazanium chloride

[2-(4-methoxyphenyl)-4-phenyl-4H-chromen-3-yl]methyl-dimethylazanium chloride (PubChem CID 2869420) has the molecular formula C25H26ClNO2 and a molecular weight of 407.94 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-4-phenyl-4H-chromen-3-yl]methyl-dimethylazanium chloride.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-4-phenyl-4H-chromen-3-yl]methyl-dimethylazanium chloride
PubChem CID2869420
Molecular FormulaC25H26ClNO2
Molecular Weight407.94 g/mol
Exact Mass407.17
IUPAC Name[2-(4-methoxyphenyl)-4-phenyl-4H-chromen-3-yl]methyl-dimethylazanium chloride
SMILESCOc1ccc(C2=C(C[NH+](C)C)C(c3ccccc3)c3ccccc3O2)cc1.[Cl-]
InChIInChI=1S/C25H25NO2.ClH/c1-26(2)17-22-24(18-9-5-4-6-10-18)21-11-7-8-12-23(21)28-25(22)19-13-15-20(27-3)16-14-19;/h4-16,24H,17H2,1-3H3;1H
InChIKeyFRKZUJDIVDJLRT-UHFFFAOYSA-N
XLogP0.78
TPSA22.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.94
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-4-phenyl-4H-chromen-3-yl]methyl-dimethylazanium chloride?
The IUPAC name of [2-(4-methoxyphenyl)-4-phenyl-4H-chromen-3-yl]methyl-dimethylazanium chloride (CID 2869420) is [2-(4-methoxyphenyl)-4-phenyl-4H-chromen-3-yl]methyl-dimethylazanium chloride.
What is the SMILES notation for [2-(4-methoxyphenyl)-4-phenyl-4H-chromen-3-yl]methyl-dimethylazanium chloride?
The canonical SMILES for [2-(4-methoxyphenyl)-4-phenyl-4H-chromen-3-yl]methyl-dimethylazanium chloride is COc1ccc(C2=C(C[NH+](C)C)C(c3ccccc3)c3ccccc3O2)cc1.[Cl-].
What is the InChIKey of [2-(4-methoxyphenyl)-4-phenyl-4H-chromen-3-yl]methyl-dimethylazanium chloride?
The InChIKey is FRKZUJDIVDJLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2.ClH/c1-26(2)17-22-24(18-9-5-4-6-10-18)21-11-7-8-12-23(21)28-25(22)19-13-15-20(27-3)16-14-19;/h4-16,24H,17H2,1-3H3;1H.
What are the key properties of [2-(4-methoxyphenyl)-4-phenyl-4H-chromen-3-yl]methyl-dimethylazanium chloride?
[2-(4-methoxyphenyl)-4-phenyl-4H-chromen-3-yl]methyl-dimethylazanium chloride has a molecular weight of 407.94 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-4-phenyl-4H-chromen-3-yl]methyl-dimethylazanium chloride is sourced from PubChem (CID 2869420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).