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

C14H19NO4 — CID 58137671

IUPACmethyl 2-(hydroxymethyl)-4-(morpholin-4-ylmethyl)benzoate
SMILESCOC(=O)c1ccc(CN2CCOCC2)cc1CO
InChIInChI=1S/C14H19NO4/c1-18-14(17)13-3-2-11(8-12(13)10-16)9-15-4-6-19-7-5-15/h2-3,8,16H,4-7,9-10H2,1H3
InChIKeyZTHXUFVSVUWLBL-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.80
Rot. Bonds4

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

methyl 2-(hydroxymethyl)-4-(morpholin-4-ylmethyl)benzoate (PubChem CID 58137671) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 2-(hydroxymethyl)-4-(morpholin-4-ylmethyl)benzoate.

Molecular Properties

Compound Namemethyl 2-(hydroxymethyl)-4-(morpholin-4-ylmethyl)benzoate
PubChem CID58137671
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 2-(hydroxymethyl)-4-(morpholin-4-ylmethyl)benzoate
SMILESCOC(=O)c1ccc(CN2CCOCC2)cc1CO
InChIInChI=1S/C14H19NO4/c1-18-14(17)13-3-2-11(8-12(13)10-16)9-15-4-6-19-7-5-15/h2-3,8,16H,4-7,9-10H2,1H3
InChIKeyZTHXUFVSVUWLBL-UHFFFAOYSA-N
XLogP0.80
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-methoxy-4-(morpholin-4-ylmethyl)benzoate
CID 66876950
methyl 4-methoxy-2-(morpholin-4-ylmethyl)benzoate
CID 67322163
methyl 5-(morpholin-4-ylmethyl)-2-pyrrolidin-1-ylbenzoate
CID 118695822
methyl 4-(morpholin-4-ylmethyl)benzoate
CID 10466592
methyl 2-methoxy-5-[[[3-(morpholin-4-ylmethyl)phenyl]methylcarbamoylamino]methyl]benzoate
CID 55921387
2-methoxy-5-(morpholin-4-ylmethyl)benzoic acid
CID 46785387
methyl 2-methoxy-5-(morpholin-4-ylmethyl)pyridine-3-carboxylate
CID 67106461
2-hydroxy-4-(morpholin-4-ylmethyl)benzoic acid;hydrochloride
CID 69296468
dimethyl 5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzene-1,3-dicarboxylate
CID 9045335
methyl 2-fluoro-4-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzoate
CID 103749535
2-(3,4-dimethoxyphenyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 55815087
methyl 3-bromo-2-(morpholin-4-ylmethyl)benzoate
CID 172876070

Frequently Asked Questions

What is the IUPAC name of methyl 2-(hydroxymethyl)-4-(morpholin-4-ylmethyl)benzoate?
The IUPAC name of methyl 2-(hydroxymethyl)-4-(morpholin-4-ylmethyl)benzoate (CID 58137671) is methyl 2-(hydroxymethyl)-4-(morpholin-4-ylmethyl)benzoate.
What is the SMILES notation for methyl 2-(hydroxymethyl)-4-(morpholin-4-ylmethyl)benzoate?
The canonical SMILES for methyl 2-(hydroxymethyl)-4-(morpholin-4-ylmethyl)benzoate is COC(=O)c1ccc(CN2CCOCC2)cc1CO.
What is the InChIKey of methyl 2-(hydroxymethyl)-4-(morpholin-4-ylmethyl)benzoate?
The InChIKey is ZTHXUFVSVUWLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-18-14(17)13-3-2-11(8-12(13)10-16)9-15-4-6-19-7-5-15/h2-3,8,16H,4-7,9-10H2,1H3.
What are the key properties of methyl 2-(hydroxymethyl)-4-(morpholin-4-ylmethyl)benzoate?
methyl 2-(hydroxymethyl)-4-(morpholin-4-ylmethyl)benzoate has a molecular weight of 265.31 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(hydroxymethyl)-4-(morpholin-4-ylmethyl)benzoate is sourced from PubChem (CID 58137671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).