diethyl-(4-hydroxy-2-phenylchromen-7-ylidene)azanium

C19H20NO2+ — CID 91276437

IUPACdiethyl-(4-hydroxy-2-phenylchromen-7-ylidene)azanium
SMILESCC[N+](CC)=c1ccc2c(O)cc(-c3ccccc3)oc-2c1
InChIInChI=1S/C19H19NO2/c1-3-20(4-2)15-10-11-16-17(21)13-18(22-19(16)12-15)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3/p+1
InChIKeyPHPLXLWRCQFJPZ-UHFFFAOYSA-O
MW294.37 g/mol
LogP3.57
Rot. Bonds3

About diethyl-(4-hydroxy-2-phenylchromen-7-ylidene)azanium

diethyl-(4-hydroxy-2-phenylchromen-7-ylidene)azanium (PubChem CID 91276437) has the molecular formula C19H20NO2+ and a molecular weight of 294.37 g/mol. Its IUPAC name is diethyl-(4-hydroxy-2-phenylchromen-7-ylidene)azanium.

Molecular Properties

Compound Namediethyl-(4-hydroxy-2-phenylchromen-7-ylidene)azanium
PubChem CID91276437
Molecular FormulaC19H20NO2+
Molecular Weight294.37 g/mol
Exact Mass294.15
IUPAC Namediethyl-(4-hydroxy-2-phenylchromen-7-ylidene)azanium
SMILESCC[N+](CC)=c1ccc2c(O)cc(-c3ccccc3)oc-2c1
InChIInChI=1S/C19H19NO2/c1-3-20(4-2)15-10-11-16-17(21)13-18(22-19(16)12-15)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3/p+1
InChIKeyPHPLXLWRCQFJPZ-UHFFFAOYSA-O
XLogP3.57
TPSA36.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Pyrylium, 4-(4-(dimethylamino)phenyl)-2,6-diphenyl-, sulfate (1:1)
CID 113002
4-(4-(Dimethylamino)phenyl)-2,6-diphenylpyrylium perchlorate
CID 12278065
6-(4-Dimethylami-nostyryl)-2,4-diphenylpyrylium perchlorate
CID 13710030
Dimethyl-(4-methyl-2-phenylchromen-7-ylidene)azanium
CID 88010727
4-(4-(Dimethylamino)phenyl)-2,6-diphenylpyrylium
CID 113003
[4-[(2E)-2-[4,6-bis(4-fluorophenyl)pyran-2-ylidene]ethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
CID 145341617
[2-(4-Fluorophenyl)-4-methylchromen-7-ylidene]-dimethylazanium
CID 150327512
7-(Dimethylamino)-4-methyl-2-[4-(trifluoromethyl)phenyl]chromenylium Tetrafluoroborate
CID 153605525
Dimethyl-[4-methyl-2-[4-(trifluoromethyl)phenyl]chromen-7-ylidene]azanium
CID 153605526
[(4E)-4-[(2E)-2-[4,6-bis(4-fluorophenyl)pyran-2-ylidene]ethylidene]-3-hydroxycyclohexa-2,5-dien-1-ylidene]-diethylazanium
CID 154594087
[4-[(2E)-2-[4,6-bis(3,4-difluorophenyl)pyran-2-ylidene]ethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
CID 154594236
[4-[(E,4E)-4-[4,6-bis(4-fluorophenyl)pyran-2-ylidene]but-2-enylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
CID 154594299

Frequently Asked Questions

What is the IUPAC name of diethyl-(4-hydroxy-2-phenylchromen-7-ylidene)azanium?
The IUPAC name of diethyl-(4-hydroxy-2-phenylchromen-7-ylidene)azanium (CID 91276437) is diethyl-(4-hydroxy-2-phenylchromen-7-ylidene)azanium.
What is the SMILES notation for diethyl-(4-hydroxy-2-phenylchromen-7-ylidene)azanium?
The canonical SMILES for diethyl-(4-hydroxy-2-phenylchromen-7-ylidene)azanium is CC[N+](CC)=c1ccc2c(O)cc(-c3ccccc3)oc-2c1.
What is the InChIKey of diethyl-(4-hydroxy-2-phenylchromen-7-ylidene)azanium?
The InChIKey is PHPLXLWRCQFJPZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H19NO2/c1-3-20(4-2)15-10-11-16-17(21)13-18(22-19(16)12-15)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3/p+1.
What are the key properties of diethyl-(4-hydroxy-2-phenylchromen-7-ylidene)azanium?
diethyl-(4-hydroxy-2-phenylchromen-7-ylidene)azanium has a molecular weight of 294.37 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(4-hydroxy-2-phenylchromen-7-ylidene)azanium is sourced from PubChem (CID 91276437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).