2-(2,6-dimethoxyphenyl)-2-morpholin-4-ylpropanoate

C15H20NO5- — CID 21119130

IUPAC2-(2,6-dimethoxyphenyl)-2-morpholin-4-ylpropanoate
SMILESCOc1cccc(OC)c1C(C)(C(=O)[O-])N1CCOCC1
InChIInChI=1S/C15H21NO5/c1-15(14(17)18,16-7-9-21-10-8-16)13-11(19-2)5-4-6-12(13)20-3/h4-6H,7-10H2,1-3H3,(H,17,18)/p-1
InChIKeyGGBXZTCWMFISLR-UHFFFAOYSA-M
MW294.33 g/mol
LogP0.00
Rot. Bonds5

About 2-(2,6-dimethoxyphenyl)-2-morpholin-4-ylpropanoate

2-(2,6-dimethoxyphenyl)-2-morpholin-4-ylpropanoate (PubChem CID 21119130) has the molecular formula C15H20NO5- and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-(2,6-dimethoxyphenyl)-2-morpholin-4-ylpropanoate.

Molecular Properties

Compound Name2-(2,6-dimethoxyphenyl)-2-morpholin-4-ylpropanoate
PubChem CID21119130
Molecular FormulaC15H20NO5-
Molecular Weight294.33 g/mol
Exact Mass294.13
IUPAC Name2-(2,6-dimethoxyphenyl)-2-morpholin-4-ylpropanoate
SMILESCOc1cccc(OC)c1C(C)(C(=O)[O-])N1CCOCC1
InChIInChI=1S/C15H21NO5/c1-15(14(17)18,16-7-9-21-10-8-16)13-11(19-2)5-4-6-12(13)20-3/h4-6H,7-10H2,1-3H3,(H,17,18)/p-1
InChIKeyGGBXZTCWMFISLR-UHFFFAOYSA-M
XLogP0.00
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethoxyphenyl)-2-morpholin-4-ylpropanoate?
The IUPAC name of 2-(2,6-dimethoxyphenyl)-2-morpholin-4-ylpropanoate (CID 21119130) is 2-(2,6-dimethoxyphenyl)-2-morpholin-4-ylpropanoate.
What is the SMILES notation for 2-(2,6-dimethoxyphenyl)-2-morpholin-4-ylpropanoate?
The canonical SMILES for 2-(2,6-dimethoxyphenyl)-2-morpholin-4-ylpropanoate is COc1cccc(OC)c1C(C)(C(=O)[O-])N1CCOCC1.
What is the InChIKey of 2-(2,6-dimethoxyphenyl)-2-morpholin-4-ylpropanoate?
The InChIKey is GGBXZTCWMFISLR-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H21NO5/c1-15(14(17)18,16-7-9-21-10-8-16)13-11(19-2)5-4-6-12(13)20-3/h4-6H,7-10H2,1-3H3,(H,17,18)/p-1.
What are the key properties of 2-(2,6-dimethoxyphenyl)-2-morpholin-4-ylpropanoate?
2-(2,6-dimethoxyphenyl)-2-morpholin-4-ylpropanoate has a molecular weight of 294.33 g/mol, XLogP of 0.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethoxyphenyl)-2-morpholin-4-ylpropanoate is sourced from PubChem (CID 21119130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).