hydron;2-morpholin-4-ylethyl 3,4-dimethoxybenzoate;chloride

C15H22ClNO5 — CID 660605

IUPAChydron;2-morpholin-4-ylethyl 3,4-dimethoxybenzoate;chloride
SMILESCOc1ccc(C(=O)OCCN2CCOCC2)cc1OC.[Cl-].[H+]
InChIInChI=1S/C15H21NO5.ClH/c1-18-13-4-3-12(11-14(13)19-2)15(17)21-10-7-16-5-8-20-9-6-16;/h3-4,11H,5-10H2,1-2H3;1H
InChIKeyZIPHSYUICCKNIX-UHFFFAOYSA-N
MW331.80 g/mol
LogP-1.69
Rot. Bonds6

About hydron;2-morpholin-4-ylethyl 3,4-dimethoxybenzoate;chloride

hydron;2-morpholin-4-ylethyl 3,4-dimethoxybenzoate;chloride (PubChem CID 660605) has the molecular formula C15H22ClNO5 and a molecular weight of 331.80 g/mol. Its IUPAC name is hydron;2-morpholin-4-ylethyl 3,4-dimethoxybenzoate;chloride.

Molecular Properties

Compound Namehydron;2-morpholin-4-ylethyl 3,4-dimethoxybenzoate;chloride
PubChem CID660605
Molecular FormulaC15H22ClNO5
Molecular Weight331.80 g/mol
Exact Mass331.12
IUPAC Namehydron;2-morpholin-4-ylethyl 3,4-dimethoxybenzoate;chloride
SMILESCOc1ccc(C(=O)OCCN2CCOCC2)cc1OC.[Cl-].[H+]
InChIInChI=1S/C15H21NO5.ClH/c1-18-13-4-3-12(11-14(13)19-2)15(17)21-10-7-16-5-8-20-9-6-16;/h3-4,11H,5-10H2,1-2H3;1H
InChIKeyZIPHSYUICCKNIX-UHFFFAOYSA-N
XLogP-1.69
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 5-1.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze hydron;2-morpholin-4-ylethyl 3,4-dimethoxybenzoate;chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-morpholin-4-ylethyl 3-amino-4-methoxybenzoate
CID 61321668
2-morpholin-4-ylethyl 4-methoxybenzoate
CID 739087
methyl 4-methoxy-3-(3-morpholin-4-ylpropoxy)benzoate
CID 22466648
2-morpholin-4-ylethyl 4-methoxybenzoate;hydrochloride
CID 2836400
2-morpholin-4-ylethyl 3,5-dimethoxybenzoate
CID 50896866
1-morpholin-4-ylpropan-2-yl 3,4-dimethoxybenzoate chloride
CID 53312685
N-ethyl-3-methoxy-4-(2-morpholin-4-ylethoxy)benzamide
CID 166767320
2-morpholin-4-ylethyl 2-(2-methoxyphenoxy)acetate
CID 23620376
methyl 2-amino-3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propanoate
CID 170884349
methyl 3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)benzoate
CID 58976806
3-fluoro-4-(2-morpholin-4-ylethoxy)benzamide
CID 22318780
1-[3-amino-4-(2-morpholin-4-ylethoxy)phenyl]ethanone
CID 82064195

Frequently Asked Questions

What is the IUPAC name of hydron;2-morpholin-4-ylethyl 3,4-dimethoxybenzoate;chloride?
The IUPAC name of hydron;2-morpholin-4-ylethyl 3,4-dimethoxybenzoate;chloride (CID 660605) is hydron;2-morpholin-4-ylethyl 3,4-dimethoxybenzoate;chloride.
What is the SMILES notation for hydron;2-morpholin-4-ylethyl 3,4-dimethoxybenzoate;chloride?
The canonical SMILES for hydron;2-morpholin-4-ylethyl 3,4-dimethoxybenzoate;chloride is COc1ccc(C(=O)OCCN2CCOCC2)cc1OC.[Cl-].[H+].
What is the InChIKey of hydron;2-morpholin-4-ylethyl 3,4-dimethoxybenzoate;chloride?
The InChIKey is ZIPHSYUICCKNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5.ClH/c1-18-13-4-3-12(11-14(13)19-2)15(17)21-10-7-16-5-8-20-9-6-16;/h3-4,11H,5-10H2,1-2H3;1H.
What are the key properties of hydron;2-morpholin-4-ylethyl 3,4-dimethoxybenzoate;chloride?
hydron;2-morpholin-4-ylethyl 3,4-dimethoxybenzoate;chloride has a molecular weight of 331.80 g/mol, XLogP of -1.69, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;2-morpholin-4-ylethyl 3,4-dimethoxybenzoate;chloride is sourced from PubChem (CID 660605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).