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

C14H19NO4 — CID 67322163

IUPACmethyl 4-methoxy-2-(morpholin-4-ylmethyl)benzoate
SMILESCOC(=O)c1ccc(OC)cc1CN1CCOCC1
InChIInChI=1S/C14H19NO4/c1-17-12-3-4-13(14(16)18-2)11(9-12)10-15-5-7-19-8-6-15/h3-4,9H,5-8,10H2,1-2H3
InChIKeyWROULPVJEBBSRX-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.31
Rot. Bonds4

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

methyl 4-methoxy-2-(morpholin-4-ylmethyl)benzoate (PubChem CID 67322163) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 4-methoxy-2-(morpholin-4-ylmethyl)benzoate.

Molecular Properties

Compound Namemethyl 4-methoxy-2-(morpholin-4-ylmethyl)benzoate
PubChem CID67322163
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 4-methoxy-2-(morpholin-4-ylmethyl)benzoate
SMILESCOC(=O)c1ccc(OC)cc1CN1CCOCC1
InChIInChI=1S/C14H19NO4/c1-17-12-3-4-13(14(16)18-2)11(9-12)10-15-5-7-19-8-6-15/h3-4,9H,5-8,10H2,1-2H3
InChIKeyWROULPVJEBBSRX-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
methyl 2-methoxy-4-(morpholin-4-ylmethyl)benzoate
CID 66876950
1-[4-methoxy-2-(piperidin-1-ylmethyl)phenyl]ethanone
CID 58236539
1-(2,4-dimethoxyphenyl)-2-morpholin-4-ylethanone
CID 82050526
2,4-dimethoxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 2996444
methyl 4-amino-3-(morpholin-4-ylmethyl)benzoate
CID 142435878
methyl 3-chloro-4-(morpholin-4-ylmethyl)benzoate
CID 67335502
methyl 5-(morpholin-4-ylmethyl)-2-pyrrolidin-1-ylbenzoate
CID 118695822
[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 2187036
methyl 3-chloro-4-(morpholin-4-ylmethyl)thiophene-2-carboxylate
CID 18376662
methyl 2-methoxy-5-(morpholin-4-ylmethyl)pyridine-3-carboxylate
CID 67106461
methyl 2-(azepan-1-ylmethyl)benzoate
CID 28748836

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-2-(morpholin-4-ylmethyl)benzoate?
The IUPAC name of methyl 4-methoxy-2-(morpholin-4-ylmethyl)benzoate (CID 67322163) is methyl 4-methoxy-2-(morpholin-4-ylmethyl)benzoate.
What is the SMILES notation for methyl 4-methoxy-2-(morpholin-4-ylmethyl)benzoate?
The canonical SMILES for methyl 4-methoxy-2-(morpholin-4-ylmethyl)benzoate is COC(=O)c1ccc(OC)cc1CN1CCOCC1.
What is the InChIKey of methyl 4-methoxy-2-(morpholin-4-ylmethyl)benzoate?
The InChIKey is WROULPVJEBBSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-17-12-3-4-13(14(16)18-2)11(9-12)10-15-5-7-19-8-6-15/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of methyl 4-methoxy-2-(morpholin-4-ylmethyl)benzoate?
methyl 4-methoxy-2-(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 4-methoxy-2-(morpholin-4-ylmethyl)benzoate is sourced from PubChem (CID 67322163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).