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

C23H24NO2S+ — CID 4249106

IUPAC[4-(4-methoxyphenyl)-2-thiophen-2-yl-4H-chromen-3-yl]methyl-dimethylazanium
SMILESCOc1ccc(C2C(C[NH+](C)C)=C(c3cccs3)Oc3ccccc32)cc1
InChIInChI=1S/C23H23NO2S/c1-24(2)15-19-22(16-10-12-17(25-3)13-11-16)18-7-4-5-8-20(18)26-23(19)21-9-6-14-27-21/h4-14,22H,15H2,1-3H3/p+1
InChIKeyMBWUWMKTUMKGNR-UHFFFAOYSA-O
MW378.52 g/mol
LogP3.84
Rot. Bonds5

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

[4-(4-methoxyphenyl)-2-thiophen-2-yl-4H-chromen-3-yl]methyl-dimethylazanium (PubChem CID 4249106) has the molecular formula C23H24NO2S+ and a molecular weight of 378.52 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)-2-thiophen-2-yl-4H-chromen-3-yl]methyl-dimethylazanium.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)-2-thiophen-2-yl-4H-chromen-3-yl]methyl-dimethylazanium
PubChem CID4249106
Molecular FormulaC23H24NO2S+
Molecular Weight378.52 g/mol
Exact Mass378.15
IUPAC Name[4-(4-methoxyphenyl)-2-thiophen-2-yl-4H-chromen-3-yl]methyl-dimethylazanium
SMILESCOc1ccc(C2C(C[NH+](C)C)=C(c3cccs3)Oc3ccccc32)cc1
InChIInChI=1S/C23H23NO2S/c1-24(2)15-19-22(16-10-12-17(25-3)13-11-16)18-7-4-5-8-20(18)26-23(19)21-9-6-14-27-21/h4-14,22H,15H2,1-3H3/p+1
InChIKeyMBWUWMKTUMKGNR-UHFFFAOYSA-O
XLogP3.84
TPSA22.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(4-methoxyphenyl)-2-thiophen-2-yl-4H-chromen-3-yl]methyl-dimethylazanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)-2-thiophen-2-yl-4H-chromen-3-yl]methyl-dimethylazanium?
The IUPAC name of [4-(4-methoxyphenyl)-2-thiophen-2-yl-4H-chromen-3-yl]methyl-dimethylazanium (CID 4249106) is [4-(4-methoxyphenyl)-2-thiophen-2-yl-4H-chromen-3-yl]methyl-dimethylazanium.
What is the SMILES notation for [4-(4-methoxyphenyl)-2-thiophen-2-yl-4H-chromen-3-yl]methyl-dimethylazanium?
The canonical SMILES for [4-(4-methoxyphenyl)-2-thiophen-2-yl-4H-chromen-3-yl]methyl-dimethylazanium is COc1ccc(C2C(C[NH+](C)C)=C(c3cccs3)Oc3ccccc32)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)-2-thiophen-2-yl-4H-chromen-3-yl]methyl-dimethylazanium?
The InChIKey is MBWUWMKTUMKGNR-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H23NO2S/c1-24(2)15-19-22(16-10-12-17(25-3)13-11-16)18-7-4-5-8-20(18)26-23(19)21-9-6-14-27-21/h4-14,22H,15H2,1-3H3/p+1.
What are the key properties of [4-(4-methoxyphenyl)-2-thiophen-2-yl-4H-chromen-3-yl]methyl-dimethylazanium?
[4-(4-methoxyphenyl)-2-thiophen-2-yl-4H-chromen-3-yl]methyl-dimethylazanium has a molecular weight of 378.52 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)-2-thiophen-2-yl-4H-chromen-3-yl]methyl-dimethylazanium is sourced from PubChem (CID 4249106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).