methyl 2-methoxy-4-(morpholin-4-ylmethyl)benzoate

C14H19NO4 — CID 66876950

IUPACmethyl 2-methoxy-4-(morpholin-4-ylmethyl)benzoate
SMILESCOC(=O)c1ccc(CN2CCOCC2)cc1OC
InChIInChI=1S/C14H19NO4/c1-17-13-9-11(3-4-12(13)14(16)18-2)10-15-5-7-19-8-6-15/h3-4,9H,5-8,10H2,1-2H3
InChIKeyBWDDRFGKWXGXPA-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.31
Rot. Bonds4

About methyl 2-methoxy-4-(morpholin-4-ylmethyl)benzoate

methyl 2-methoxy-4-(morpholin-4-ylmethyl)benzoate (PubChem CID 66876950) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 2-methoxy-4-(morpholin-4-ylmethyl)benzoate.

Molecular Properties

Compound Namemethyl 2-methoxy-4-(morpholin-4-ylmethyl)benzoate
PubChem CID66876950
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 2-methoxy-4-(morpholin-4-ylmethyl)benzoate
SMILESCOC(=O)c1ccc(CN2CCOCC2)cc1OC
InChIInChI=1S/C14H19NO4/c1-17-13-9-11(3-4-12(13)14(16)18-2)10-15-5-7-19-8-6-15/h3-4,9H,5-8,10H2,1-2H3
InChIKeyBWDDRFGKWXGXPA-UHFFFAOYSA-N
XLogP1.31
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(hydroxymethyl)-4-(morpholin-4-ylmethyl)benzoate
CID 58137671
2-methoxy-5-(morpholin-4-ylmethyl)benzoic acid
CID 46785387
methyl 2-methoxy-5-[[[3-(morpholin-4-ylmethyl)phenyl]methylcarbamoylamino]methyl]benzoate
CID 55921387
methyl 5-(morpholin-4-ylmethyl)-2-pyrrolidin-1-ylbenzoate
CID 118695822
methyl 4-(morpholin-4-ylmethyl)benzoate
CID 10466592
2,4-dimethoxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 2996444
methyl 4-methoxy-2-(morpholin-4-ylmethyl)benzoate
CID 67322163
4-[(4-fluoro-3-methoxyphenyl)methyl]morpholine
CID 71190630
methyl 2-methoxy-5-(morpholin-4-ylmethyl)pyridine-3-carboxylate
CID 67106461
[2,6-dimethoxy-4-(morpholin-4-ylmethyl)phenyl]boronic acid
CID 18667758
methyl 2-(4-methoxybutoxy)-4-(pyrrolidin-1-ylmethyl)benzoate
CID 54433321
2-(4-methoxybutoxy)-4-(morpholin-4-ylmethyl)benzamide
CID 140972491

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-4-(morpholin-4-ylmethyl)benzoate?
The IUPAC name of methyl 2-methoxy-4-(morpholin-4-ylmethyl)benzoate (CID 66876950) is methyl 2-methoxy-4-(morpholin-4-ylmethyl)benzoate.
What is the SMILES notation for methyl 2-methoxy-4-(morpholin-4-ylmethyl)benzoate?
The canonical SMILES for methyl 2-methoxy-4-(morpholin-4-ylmethyl)benzoate is COC(=O)c1ccc(CN2CCOCC2)cc1OC.
What is the InChIKey of methyl 2-methoxy-4-(morpholin-4-ylmethyl)benzoate?
The InChIKey is BWDDRFGKWXGXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-17-13-9-11(3-4-12(13)14(16)18-2)10-15-5-7-19-8-6-15/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of methyl 2-methoxy-4-(morpholin-4-ylmethyl)benzoate?
methyl 2-methoxy-4-(morpholin-4-ylmethyl)benzoate has a molecular weight of 265.31 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-4-(morpholin-4-ylmethyl)benzoate is sourced from PubChem (CID 66876950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).