2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetic acid

C12H13Cl2NO3 — CID 43803363

IUPAC2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetic acid
SMILESO=C(O)C(c1ccc(Cl)cc1Cl)N1CCOCC1
InChIInChI=1S/C12H13Cl2NO3/c13-8-1-2-9(10(14)7-8)11(12(16)17)15-3-5-18-6-4-15/h1-2,7,11H,3-6H2,(H,16,17)
InChIKeyMHBUPVNBRFBBHG-UHFFFAOYSA-N
MW290.15 g/mol
LogP2.45
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetic acid

2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetic acid (PubChem CID 43803363) has the molecular formula C12H13Cl2NO3 and a molecular weight of 290.15 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetic acid.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetic acid
PubChem CID43803363
Molecular FormulaC12H13Cl2NO3
Molecular Weight290.15 g/mol
Exact Mass289.03
IUPAC Name2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetic acid
SMILESO=C(O)C(c1ccc(Cl)cc1Cl)N1CCOCC1
InChIInChI=1S/C12H13Cl2NO3/c13-8-1-2-9(10(14)7-8)11(12(16)17)15-3-5-18-6-4-15/h1-2,7,11H,3-6H2,(H,16,17)
InChIKeyMHBUPVNBRFBBHG-UHFFFAOYSA-N
XLogP2.45
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetic acid?
The IUPAC name of 2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetic acid (CID 43803363) is 2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetic acid.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetic acid?
The canonical SMILES for 2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetic acid is O=C(O)C(c1ccc(Cl)cc1Cl)N1CCOCC1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetic acid?
The InChIKey is MHBUPVNBRFBBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO3/c13-8-1-2-9(10(14)7-8)11(12(16)17)15-3-5-18-6-4-15/h1-2,7,11H,3-6H2,(H,16,17).
What are the key properties of 2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetic acid?
2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetic acid has a molecular weight of 290.15 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetic acid is sourced from PubChem (CID 43803363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).