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

C12H14Cl3NO3 — CID 54595831

IUPAC2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetic acid;hydrochloride
SMILESCl.O=C(O)C(c1ccc(Cl)cc1Cl)N1CCOCC1
InChIInChI=1S/C12H13Cl2NO3.ClH/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);1H
InChIKeyXTTAWZWZAPAIQD-UHFFFAOYSA-N
MW326.61 g/mol
LogP2.87
Rot. Bonds3

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

2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetic acid;hydrochloride (PubChem CID 54595831) has the molecular formula C12H14Cl3NO3 and a molecular weight of 326.61 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetic acid;hydrochloride.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetic acid;hydrochloride
PubChem CID54595831
Molecular FormulaC12H14Cl3NO3
Molecular Weight326.61 g/mol
Exact Mass325.00
IUPAC Name2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetic acid;hydrochloride
SMILESCl.O=C(O)C(c1ccc(Cl)cc1Cl)N1CCOCC1
InChIInChI=1S/C12H13Cl2NO3.ClH/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);1H
InChIKeyXTTAWZWZAPAIQD-UHFFFAOYSA-N
XLogP2.87
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.61
LogP ≤ 52.87
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;hydrochloride?
The IUPAC name of 2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetic acid;hydrochloride (CID 54595831) is 2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetic acid;hydrochloride.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetic acid;hydrochloride?
The canonical SMILES for 2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetic acid;hydrochloride is Cl.O=C(O)C(c1ccc(Cl)cc1Cl)N1CCOCC1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetic acid;hydrochloride?
The InChIKey is XTTAWZWZAPAIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO3.ClH/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);1H.
What are the key properties of 2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetic acid;hydrochloride?
2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetic acid;hydrochloride has a molecular weight of 326.61 g/mol, XLogP of 2.87, 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;hydrochloride is sourced from PubChem (CID 54595831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).