diethyl-[2-(2-hydroxy-4-methoxybenzoyl)oxyethyl]azanium chloride

C14H22ClNO4 — CID 44668198

IUPACdiethyl-[2-(2-hydroxy-4-methoxybenzoyl)oxyethyl]azanium chloride
SMILESCC[NH+](CC)CCOC(=O)c1ccc(OC)cc1O.[Cl-]
InChIInChI=1S/C14H21NO4.ClH/c1-4-15(5-2)8-9-19-14(17)12-7-6-11(18-3)10-13(12)16;/h6-7,10,16H,4-5,8-9H2,1-3H3;1H
InChIKeyYMBLARYUGAVNLB-UHFFFAOYSA-N
MW303.79 g/mol
LogP-2.51
Rot. Bonds7

About diethyl-[2-(2-hydroxy-4-methoxybenzoyl)oxyethyl]azanium chloride

diethyl-[2-(2-hydroxy-4-methoxybenzoyl)oxyethyl]azanium chloride (PubChem CID 44668198) has the molecular formula C14H22ClNO4 and a molecular weight of 303.79 g/mol. Its IUPAC name is diethyl-[2-(2-hydroxy-4-methoxybenzoyl)oxyethyl]azanium chloride.

Molecular Properties

Compound Namediethyl-[2-(2-hydroxy-4-methoxybenzoyl)oxyethyl]azanium chloride
PubChem CID44668198
Molecular FormulaC14H22ClNO4
Molecular Weight303.79 g/mol
Exact Mass303.12
IUPAC Namediethyl-[2-(2-hydroxy-4-methoxybenzoyl)oxyethyl]azanium chloride
SMILESCC[NH+](CC)CCOC(=O)c1ccc(OC)cc1O.[Cl-]
InChIInChI=1S/C14H21NO4.ClH/c1-4-15(5-2)8-9-19-14(17)12-7-6-11(18-3)10-13(12)16;/h6-7,10,16H,4-5,8-9H2,1-3H3;1H
InChIKeyYMBLARYUGAVNLB-UHFFFAOYSA-N
XLogP-2.51
TPSA60.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 5-2.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetyl-3-hydroxyphenoxy)ethyl-diethylazanium chloride
CID 24382
2-(4-methoxyphenoxy)ethyl 2,4-dihydroxybenzoate
CID 2647186
[(E)-but-2-enyl] 2-hydroxy-4-methoxybenzoate
CID 55562993
diethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium chloride
CID 20291
ethyl 2-bromo-4-methoxybenzoate
CID 46311272
[phosphanyl(sulfanyl)methyl] 2-hydroxy-4-methoxybenzoate
CID 143623658
(5-methyl-1,2-oxazol-3-yl)methyl 2-hydroxy-4-methoxybenzoate
CID 8945252
[2-(2,4-difluorophenyl)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate
CID 17448025
propyl 2-amino-5-methoxybenzoate
CID 60837149
N-(1-aminobutan-2-yl)-2-hydroxy-4-methoxybenzamide
CID 63754997
(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 8569
[2-[[(2R)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2-hydroxy-4-methoxybenzoate
CID 9406247

Frequently Asked Questions

What is the IUPAC name of diethyl-[2-(2-hydroxy-4-methoxybenzoyl)oxyethyl]azanium chloride?
The IUPAC name of diethyl-[2-(2-hydroxy-4-methoxybenzoyl)oxyethyl]azanium chloride (CID 44668198) is diethyl-[2-(2-hydroxy-4-methoxybenzoyl)oxyethyl]azanium chloride.
What is the SMILES notation for diethyl-[2-(2-hydroxy-4-methoxybenzoyl)oxyethyl]azanium chloride?
The canonical SMILES for diethyl-[2-(2-hydroxy-4-methoxybenzoyl)oxyethyl]azanium chloride is CC[NH+](CC)CCOC(=O)c1ccc(OC)cc1O.[Cl-].
What is the InChIKey of diethyl-[2-(2-hydroxy-4-methoxybenzoyl)oxyethyl]azanium chloride?
The InChIKey is YMBLARYUGAVNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4.ClH/c1-4-15(5-2)8-9-19-14(17)12-7-6-11(18-3)10-13(12)16;/h6-7,10,16H,4-5,8-9H2,1-3H3;1H.
What are the key properties of diethyl-[2-(2-hydroxy-4-methoxybenzoyl)oxyethyl]azanium chloride?
diethyl-[2-(2-hydroxy-4-methoxybenzoyl)oxyethyl]azanium chloride has a molecular weight of 303.79 g/mol, XLogP of -2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-(2-hydroxy-4-methoxybenzoyl)oxyethyl]azanium chloride is sourced from PubChem (CID 44668198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).