[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

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Related Compounds

[2-(4-methoxyphenyl)-4-phenyl-4H-chromen-3-yl]methyl-dimethylazanium chloride
CID 2869420
[4-(4-fluorophenyl)-2-(2-methoxyphenyl)-4H-chromen-3-yl]methyl-dimethylazanium
CID 4293448
(1S)-1-[(4S)-4-(2-methylphenyl)-2-thiophen-2-yl-4H-chromen-3-yl]propan-1-ol
CID 1495791
1-[(4R)-4-(4-fluorophenyl)-2-(2-methoxyphenyl)-4H-chromen-3-yl]-N,N-dimethylmethanamine
CID 1490769
methyl 2-(4-methoxyphenyl)-5-thiophen-2-yl-2,3-dihydrofuran-4-carboxylate
CID 122400270
1-[(4S)-2,4-diphenyl-4H-chromen-3-yl]-N,N-dimethylmethanamine
CID 7047438
5-(4-ethoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 3121956
1-[2-(3,4-dimethoxyphenyl)-4-phenyl-4H-chromen-3-yl]-N,N-dimethylmethanamine
CID 3456540
(5R,10bS)-5-(4-propoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 7312096
3-(4-methoxyphenyl)-4-(2-oxo-2-thiophen-2-ylethyl)-4H-1,3-benzoxazin-2-one
CID 10691123
(9S)-9-(4-methoxyphenyl)-13-thiophen-2-yl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),11,13,16-pentaen-7-one
CID 41067258
9-(4-methoxyphenyl)-13-thiophen-2-yl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),11,13,16-pentaen-7-one
CID 4974703

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).