diethyl-[(3-methyl-4-oxo-2-phenylchromen-6-yl)methyl]azanium chloride

C21H24ClNO2 — CID 27704

IUPACdiethyl-[(3-methyl-4-oxo-2-phenylchromen-6-yl)methyl]azanium chloride
SMILESCC[NH+](CC)Cc1ccc2oc(-c3ccccc3)c(C)c(=O)c2c1.[Cl-]
InChIInChI=1S/C21H23NO2.ClH/c1-4-22(5-2)14-16-11-12-19-18(13-16)20(23)15(3)21(24-19)17-9-7-6-8-10-17;/h6-13H,4-5,14H2,1-3H3;1H
InChIKeyDRBFMPALKWTUTG-UHFFFAOYSA-N
MW357.88 g/mol
LogP0.20
Rot. Bonds5

About diethyl-[(3-methyl-4-oxo-2-phenylchromen-6-yl)methyl]azanium chloride

diethyl-[(3-methyl-4-oxo-2-phenylchromen-6-yl)methyl]azanium chloride (PubChem CID 27704) has the molecular formula C21H24ClNO2 and a molecular weight of 357.88 g/mol. Its IUPAC name is diethyl-[(3-methyl-4-oxo-2-phenylchromen-6-yl)methyl]azanium chloride.

Molecular Properties

Compound Namediethyl-[(3-methyl-4-oxo-2-phenylchromen-6-yl)methyl]azanium chloride
PubChem CID27704
Molecular FormulaC21H24ClNO2
Molecular Weight357.88 g/mol
Exact Mass357.15
IUPAC Namediethyl-[(3-methyl-4-oxo-2-phenylchromen-6-yl)methyl]azanium chloride
SMILESCC[NH+](CC)Cc1ccc2oc(-c3ccccc3)c(C)c(=O)c2c1.[Cl-]
InChIInChI=1S/C21H23NO2.ClH/c1-4-22(5-2)14-16-11-12-19-18(13-16)20(23)15(3)21(24-19)17-9-7-6-8-10-17;/h6-13H,4-5,14H2,1-3H3;1H
InChIKeyDRBFMPALKWTUTG-UHFFFAOYSA-N
XLogP0.20
TPSA34.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(dimethylamino)methyl]-3-methyl-2-phenylchromen-4-one
CID 27708
methanesulfonic acid;3-methyl-2-phenylchromen-4-one
CID 172814371
2-ethyl-3,5-dimethyl-6-phenylpyran-4-one
CID 102311710
6-amino-2-(4-aminophenyl)-3-methylchromen-4-one
CID 139992819
3-iodo-6-methyl-2-phenylchromen-4-one
CID 164665609
8-ethyl-3-methyl-2-phenylchromen-4-one
CID 59679615
2-(4-hydroxyphenyl)-3-methylchromen-4-one
CID 11579699
ethyl 3-hydroxy-4-oxo-2-phenylchromene-6-carboxylate
CID 23286075
6-acetyl-3-ethyl-2-phenylchromen-4-one
CID 13308875
6-ethyl-2-phenylchromen-4-one
CID 10999458
8-amino-3-methyl-2-phenylchromen-4-one
CID 19972808
6-(diethylaminomethyl)-2,3-dimethylchromen-4-one
CID 3063438

Frequently Asked Questions

What is the IUPAC name of diethyl-[(3-methyl-4-oxo-2-phenylchromen-6-yl)methyl]azanium chloride?
The IUPAC name of diethyl-[(3-methyl-4-oxo-2-phenylchromen-6-yl)methyl]azanium chloride (CID 27704) is diethyl-[(3-methyl-4-oxo-2-phenylchromen-6-yl)methyl]azanium chloride.
What is the SMILES notation for diethyl-[(3-methyl-4-oxo-2-phenylchromen-6-yl)methyl]azanium chloride?
The canonical SMILES for diethyl-[(3-methyl-4-oxo-2-phenylchromen-6-yl)methyl]azanium chloride is CC[NH+](CC)Cc1ccc2oc(-c3ccccc3)c(C)c(=O)c2c1.[Cl-].
What is the InChIKey of diethyl-[(3-methyl-4-oxo-2-phenylchromen-6-yl)methyl]azanium chloride?
The InChIKey is DRBFMPALKWTUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2.ClH/c1-4-22(5-2)14-16-11-12-19-18(13-16)20(23)15(3)21(24-19)17-9-7-6-8-10-17;/h6-13H,4-5,14H2,1-3H3;1H.
What are the key properties of diethyl-[(3-methyl-4-oxo-2-phenylchromen-6-yl)methyl]azanium chloride?
diethyl-[(3-methyl-4-oxo-2-phenylchromen-6-yl)methyl]azanium chloride has a molecular weight of 357.88 g/mol, XLogP of 0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[(3-methyl-4-oxo-2-phenylchromen-6-yl)methyl]azanium chloride is sourced from PubChem (CID 27704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).