methyl 2-hydroxy-2-(4-methyl-2-morpholin-4-ylphenyl)acetate

C14H19NO4 — CID 117108710

IUPACmethyl 2-hydroxy-2-(4-methyl-2-morpholin-4-ylphenyl)acetate
SMILESCOC(=O)C(O)c1ccc(C)cc1N1CCOCC1
InChIInChI=1S/C14H19NO4/c1-10-3-4-11(13(16)14(17)18-2)12(9-10)15-5-7-19-8-6-15/h3-4,9,13,16H,5-8H2,1-2H3
InChIKeyBQSIKIDCXXAYIO-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.04
Rot. Bonds3

About methyl 2-hydroxy-2-(4-methyl-2-morpholin-4-ylphenyl)acetate

methyl 2-hydroxy-2-(4-methyl-2-morpholin-4-ylphenyl)acetate (PubChem CID 117108710) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 2-hydroxy-2-(4-methyl-2-morpholin-4-ylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-(4-methyl-2-morpholin-4-ylphenyl)acetate
PubChem CID117108710
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 2-hydroxy-2-(4-methyl-2-morpholin-4-ylphenyl)acetate
SMILESCOC(=O)C(O)c1ccc(C)cc1N1CCOCC1
InChIInChI=1S/C14H19NO4/c1-10-3-4-11(13(16)14(17)18-2)12(9-10)15-5-7-19-8-6-15/h3-4,9,13,16H,5-8H2,1-2H3
InChIKeyBQSIKIDCXXAYIO-UHFFFAOYSA-N
XLogP1.04
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-hydroxy-2-(5-methyl-2-morpholin-4-ylphenyl)acetate
CID 117417055
methyl 2-(4-fluoro-2-morpholin-4-ylphenyl)-2-hydroxyacetate
CID 117108709
2-amino-1-(4-methyl-2-morpholin-4-ylphenyl)ethanol
CID 117115348
3-amino-3-(4-methyl-2-morpholin-4-ylphenyl)propanoic acid
CID 117115891
4-amino-4-(4-methyl-2-morpholin-4-ylphenyl)butanoic acid
CID 117116014
methyl 2-hydroxy-2-(2-hydroxy-5-morpholin-4-ylphenyl)acetate
CID 117421323
methyl 2-hydroxy-2-(4-morpholin-4-ylphenyl)acetate
CID 117380930
2-amino-1-(4-methyl-2-morpholin-4-ylphenyl)ethanone
CID 117115575
2-(4-fluoro-2-morpholin-4-ylphenyl)-2-hydroxyacetic acid
CID 117108583
5-methyl-2-morpholin-4-ylbenzoic acid
CID 62516703
1-(5-methyl-2-morpholin-4-ylphenyl)ethanone
CID 117312505
4-methyl-2-(1,4-oxazepan-4-yl)benzoic acid
CID 62968020

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-(4-methyl-2-morpholin-4-ylphenyl)acetate?
The IUPAC name of methyl 2-hydroxy-2-(4-methyl-2-morpholin-4-ylphenyl)acetate (CID 117108710) is methyl 2-hydroxy-2-(4-methyl-2-morpholin-4-ylphenyl)acetate.
What is the SMILES notation for methyl 2-hydroxy-2-(4-methyl-2-morpholin-4-ylphenyl)acetate?
The canonical SMILES for methyl 2-hydroxy-2-(4-methyl-2-morpholin-4-ylphenyl)acetate is COC(=O)C(O)c1ccc(C)cc1N1CCOCC1.
What is the InChIKey of methyl 2-hydroxy-2-(4-methyl-2-morpholin-4-ylphenyl)acetate?
The InChIKey is BQSIKIDCXXAYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10-3-4-11(13(16)14(17)18-2)12(9-10)15-5-7-19-8-6-15/h3-4,9,13,16H,5-8H2,1-2H3.
What are the key properties of methyl 2-hydroxy-2-(4-methyl-2-morpholin-4-ylphenyl)acetate?
methyl 2-hydroxy-2-(4-methyl-2-morpholin-4-ylphenyl)acetate has a molecular weight of 265.31 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-(4-methyl-2-morpholin-4-ylphenyl)acetate is sourced from PubChem (CID 117108710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).