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

C13H17NO4 — CID 117380930

IUPACmethyl 2-hydroxy-2-(4-morpholin-4-ylphenyl)acetate
SMILESCOC(=O)C(O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C13H17NO4/c1-17-13(16)12(15)10-2-4-11(5-3-10)14-6-8-18-9-7-14/h2-5,12,15H,6-9H2,1H3
InChIKeyLWOJQJHHJKSCPI-UHFFFAOYSA-N
MW251.28 g/mol
LogP0.73
Rot. Bonds3

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

methyl 2-hydroxy-2-(4-morpholin-4-ylphenyl)acetate (PubChem CID 117380930) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is methyl 2-hydroxy-2-(4-morpholin-4-ylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-(4-morpholin-4-ylphenyl)acetate
PubChem CID117380930
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Namemethyl 2-hydroxy-2-(4-morpholin-4-ylphenyl)acetate
SMILESCOC(=O)C(O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C13H17NO4/c1-17-13(16)12(15)10-2-4-11(5-3-10)14-6-8-18-9-7-14/h2-5,12,15H,6-9H2,1H3
InChIKeyLWOJQJHHJKSCPI-UHFFFAOYSA-N
XLogP0.73
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

methyl 2-hydroxy-2-(2-hydroxy-5-morpholin-4-ylphenyl)acetate
CID 117421323
methyl 2-hydroxy-2-(4-methyl-2-morpholin-4-ylphenyl)acetate
CID 117108710
methyl 2-hydroxy-2-(5-methyl-2-morpholin-4-ylphenyl)acetate
CID 117417055
methyl 2-amino-3-(2,6-dimethyl-4-morpholin-4-ylphenyl)propanoate
CID 170884277
methyl 2-(4-fluoro-2-morpholin-4-ylphenyl)-2-hydroxyacetate
CID 117108709
methyl (2S)-2-acetamido-3-(4-morpholin-4-ylphenyl)propanoate
CID 75176217
methyl 2-methyl-4-morpholin-4-ylbenzoate
CID 90024135
(1R)-1-[4-(1,4-oxazepan-4-yl)phenyl]ethanol
CID 78941068
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylbenzamide
CID 92674988
(1S)-2-methyl-1-(4-morpholin-4-ylphenyl)propan-1-amine
CID 124563582
methyl 2-hydroxy-2-[3-(4-methylpiperazin-1-yl)phenyl]acetate
CID 117415412
methyl (E)-3-(4-morpholin-4-ylphenyl)prop-2-enoate
CID 91689830

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-(4-morpholin-4-ylphenyl)acetate?
The IUPAC name of methyl 2-hydroxy-2-(4-morpholin-4-ylphenyl)acetate (CID 117380930) is methyl 2-hydroxy-2-(4-morpholin-4-ylphenyl)acetate.
What is the SMILES notation for methyl 2-hydroxy-2-(4-morpholin-4-ylphenyl)acetate?
The canonical SMILES for methyl 2-hydroxy-2-(4-morpholin-4-ylphenyl)acetate is COC(=O)C(O)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of methyl 2-hydroxy-2-(4-morpholin-4-ylphenyl)acetate?
The InChIKey is LWOJQJHHJKSCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-17-13(16)12(15)10-2-4-11(5-3-10)14-6-8-18-9-7-14/h2-5,12,15H,6-9H2,1H3.
What are the key properties of methyl 2-hydroxy-2-(4-morpholin-4-ylphenyl)acetate?
methyl 2-hydroxy-2-(4-morpholin-4-ylphenyl)acetate has a molecular weight of 251.28 g/mol, XLogP of 0.73, 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-morpholin-4-ylphenyl)acetate is sourced from PubChem (CID 117380930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).