methyl 2-morpholin-4-yl-2-phenylacetate

C13H17NO3 — CID 57425659

IUPACmethyl 2-morpholin-4-yl-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)N1CCOCC1
InChIInChI=1S/C13H17NO3/c1-16-13(15)12(11-5-3-2-4-6-11)14-7-9-17-10-8-14/h2-6,12H,7-10H2,1H3
InChIKeyOQBAEQLPABFYCO-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.23
Rot. Bonds3

About methyl 2-morpholin-4-yl-2-phenylacetate

methyl 2-morpholin-4-yl-2-phenylacetate (PubChem CID 57425659) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is methyl 2-morpholin-4-yl-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-morpholin-4-yl-2-phenylacetate
PubChem CID57425659
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namemethyl 2-morpholin-4-yl-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)N1CCOCC1
InChIInChI=1S/C13H17NO3/c1-16-13(15)12(11-5-3-2-4-6-11)14-7-9-17-10-8-14/h2-6,12H,7-10H2,1H3
InChIKeyOQBAEQLPABFYCO-UHFFFAOYSA-N
XLogP1.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-morpholin-4-yl-2-phenylacetate?
The IUPAC name of methyl 2-morpholin-4-yl-2-phenylacetate (CID 57425659) is methyl 2-morpholin-4-yl-2-phenylacetate.
What is the SMILES notation for methyl 2-morpholin-4-yl-2-phenylacetate?
The canonical SMILES for methyl 2-morpholin-4-yl-2-phenylacetate is COC(=O)C(c1ccccc1)N1CCOCC1.
What is the InChIKey of methyl 2-morpholin-4-yl-2-phenylacetate?
The InChIKey is OQBAEQLPABFYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-16-13(15)12(11-5-3-2-4-6-11)14-7-9-17-10-8-14/h2-6,12H,7-10H2,1H3.
What are the key properties of methyl 2-morpholin-4-yl-2-phenylacetate?
methyl 2-morpholin-4-yl-2-phenylacetate has a molecular weight of 235.28 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-morpholin-4-yl-2-phenylacetate is sourced from PubChem (CID 57425659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).