methyl 3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)benzoate

C16H23NO6 — CID 58976806

IUPACmethyl 3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)benzoate
SMILESCOC(=O)c1cc(OC)c(OCCN2CCOCC2)c(OC)c1
InChIInChI=1S/C16H23NO6/c1-19-13-10-12(16(18)21-3)11-14(20-2)15(13)23-9-6-17-4-7-22-8-5-17/h10-11H,4-9H2,1-3H3
InChIKeyZWNKGPXZLCDWRP-UHFFFAOYSA-N
MW325.36 g/mol
LogP1.20
Rot. Bonds7

About methyl 3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)benzoate

methyl 3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)benzoate (PubChem CID 58976806) has the molecular formula C16H23NO6 and a molecular weight of 325.36 g/mol. Its IUPAC name is methyl 3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)benzoate.

Molecular Properties

Compound Namemethyl 3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)benzoate
PubChem CID58976806
Molecular FormulaC16H23NO6
Molecular Weight325.36 g/mol
Exact Mass325.15
IUPAC Namemethyl 3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)benzoate
SMILESCOC(=O)c1cc(OC)c(OCCN2CCOCC2)c(OC)c1
InChIInChI=1S/C16H23NO6/c1-19-13-10-12(16(18)21-3)11-14(20-2)15(13)23-9-6-17-4-7-22-8-5-17/h10-11H,4-9H2,1-3H3
InChIKeyZWNKGPXZLCDWRP-UHFFFAOYSA-N
XLogP1.20
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 43516741
methyl 4-methoxy-3-(3-morpholin-4-ylpropoxy)benzoate
CID 22466648
3-bromo-5-methoxy-4-(2-morpholin-4-ylethoxy)benzenecarbothioamide
CID 20985116
methyl 4-(2-hydroxyethoxy)-3,5-dimethoxybenzoate
CID 122501384
hydron;2-morpholin-4-ylethyl 3,4-dimethoxybenzoate;chloride
CID 660605
N-ethyl-3-methoxy-4-(2-morpholin-4-ylethoxy)benzamide
CID 166767320
2-morpholin-4-ylethyl 3,5-dimethoxybenzoate
CID 50896866
1-[5-chloro-3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-N-methylmethanamine
CID 104664509
[(2R)-1-morpholin-4-ylpropan-2-yl] 3,4,5-trimethoxybenzoate
CID 844388
2-morpholin-4-ylethyl 3-amino-4-methoxybenzoate
CID 61321668
3-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one
CID 110187528
methyl 5-(2-morpholin-4-ylethoxy)-2,1,3-benzothiadiazole-6-carboxylate
CID 146371311

Frequently Asked Questions

What is the IUPAC name of methyl 3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)benzoate?
The IUPAC name of methyl 3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)benzoate (CID 58976806) is methyl 3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)benzoate.
What is the SMILES notation for methyl 3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)benzoate?
The canonical SMILES for methyl 3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)benzoate is COC(=O)c1cc(OC)c(OCCN2CCOCC2)c(OC)c1.
What is the InChIKey of methyl 3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)benzoate?
The InChIKey is ZWNKGPXZLCDWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO6/c1-19-13-10-12(16(18)21-3)11-14(20-2)15(13)23-9-6-17-4-7-22-8-5-17/h10-11H,4-9H2,1-3H3.
What are the key properties of methyl 3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)benzoate?
methyl 3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)benzoate has a molecular weight of 325.36 g/mol, XLogP of 1.20, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)benzoate is sourced from PubChem (CID 58976806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).