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

C25H25FNO2+ — CID 4293448

IUPAC[4-(4-fluorophenyl)-2-(2-methoxyphenyl)-4H-chromen-3-yl]methyl-dimethylazanium
SMILESCOc1ccccc1C1=C(C[NH+](C)C)C(c2ccc(F)cc2)c2ccccc2O1
InChIInChI=1S/C25H24FNO2/c1-27(2)16-21-24(17-12-14-18(26)15-13-17)19-8-4-7-11-23(19)29-25(21)20-9-5-6-10-22(20)28-3/h4-15,24H,16H2,1-3H3/p+1
InChIKeyVZKUKPWZTPYYSF-UHFFFAOYSA-O
MW390.48 g/mol
LogP3.91
Rot. Bonds5

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

[4-(4-fluorophenyl)-2-(2-methoxyphenyl)-4H-chromen-3-yl]methyl-dimethylazanium (PubChem CID 4293448) has the molecular formula C25H25FNO2+ and a molecular weight of 390.48 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-2-(2-methoxyphenyl)-4H-chromen-3-yl]methyl-dimethylazanium.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-2-(2-methoxyphenyl)-4H-chromen-3-yl]methyl-dimethylazanium
PubChem CID4293448
Molecular FormulaC25H25FNO2+
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name[4-(4-fluorophenyl)-2-(2-methoxyphenyl)-4H-chromen-3-yl]methyl-dimethylazanium
SMILESCOc1ccccc1C1=C(C[NH+](C)C)C(c2ccc(F)cc2)c2ccccc2O1
InChIInChI=1S/C25H24FNO2/c1-27(2)16-21-24(17-12-14-18(26)15-13-17)19-8-4-7-11-23(19)29-25(21)20-9-5-6-10-22(20)28-3/h4-15,24H,16H2,1-3H3/p+1
InChIKeyVZKUKPWZTPYYSF-UHFFFAOYSA-O
XLogP3.91
TPSA22.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4R)-4-(4-fluorophenyl)-2-(2-methoxyphenyl)-4H-chromen-3-yl]-N,N-dimethylmethanamine
CID 1490769
[2-(4-methoxyphenyl)-4-phenyl-4H-chromen-3-yl]methyl-dimethylazanium chloride
CID 2869420
[4-(4-methoxyphenyl)-2-thiophen-2-yl-4H-chromen-3-yl]methyl-dimethylazanium
CID 4249106
1-[2-(3,4-dimethoxyphenyl)-4-phenyl-4H-chromen-3-yl]-N,N-dimethylmethanamine
CID 3456540
4-[[2-(4-ethoxyphenyl)-4-(4-fluorophenyl)-4H-chromen-3-yl]methyl]morpholine
CID 3119771
4-[[(4S)-2-(4-ethoxyphenyl)-4-(4-fluorophenyl)-4H-chromen-3-yl]methyl]morpholine
CID 1107537
ethane;3-(2-methoxyphenyl)-3H-1-benzofuran-2-one
CID 91371592
ethyl (1S,6R)-6-(4-fluorophenyl)-4-(2-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate
CID 99801496
2,3-difluoro-1,4-bis(2-methoxyphenyl)benzene
CID 58004087
1-(2,3-dihydro-1-benzofuran-3-yl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 104794252
9-(2-methoxyphenyl)-9H-fluorene
CID 10492416
2-(2,4-dimethoxyphenyl)-5-(4-fluorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 4282530

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-2-(2-methoxyphenyl)-4H-chromen-3-yl]methyl-dimethylazanium?
The IUPAC name of [4-(4-fluorophenyl)-2-(2-methoxyphenyl)-4H-chromen-3-yl]methyl-dimethylazanium (CID 4293448) is [4-(4-fluorophenyl)-2-(2-methoxyphenyl)-4H-chromen-3-yl]methyl-dimethylazanium.
What is the SMILES notation for [4-(4-fluorophenyl)-2-(2-methoxyphenyl)-4H-chromen-3-yl]methyl-dimethylazanium?
The canonical SMILES for [4-(4-fluorophenyl)-2-(2-methoxyphenyl)-4H-chromen-3-yl]methyl-dimethylazanium is COc1ccccc1C1=C(C[NH+](C)C)C(c2ccc(F)cc2)c2ccccc2O1.
What is the InChIKey of [4-(4-fluorophenyl)-2-(2-methoxyphenyl)-4H-chromen-3-yl]methyl-dimethylazanium?
The InChIKey is VZKUKPWZTPYYSF-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H24FNO2/c1-27(2)16-21-24(17-12-14-18(26)15-13-17)19-8-4-7-11-23(19)29-25(21)20-9-5-6-10-22(20)28-3/h4-15,24H,16H2,1-3H3/p+1.
What are the key properties of [4-(4-fluorophenyl)-2-(2-methoxyphenyl)-4H-chromen-3-yl]methyl-dimethylazanium?
[4-(4-fluorophenyl)-2-(2-methoxyphenyl)-4H-chromen-3-yl]methyl-dimethylazanium has a molecular weight of 390.48 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-2-(2-methoxyphenyl)-4H-chromen-3-yl]methyl-dimethylazanium is sourced from PubChem (CID 4293448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).