(2,4-dichlorophenyl) morpholine-4-carboxylate

C11H11Cl2NO3 — CID 134989455

IUPAC(2,4-dichlorophenyl) morpholine-4-carboxylate
SMILESO=C(Oc1ccc(Cl)cc1Cl)N1CCOCC1
InChIInChI=1S/C11H11Cl2NO3/c12-8-1-2-10(9(13)7-8)17-11(15)14-3-5-16-6-4-14/h1-2,7H,3-6H2
InChIKeyXOTNBRLHMOFCOI-UHFFFAOYSA-N
MW276.12 g/mol
LogP2.82
Rot. Bonds1

About (2,4-dichlorophenyl) morpholine-4-carboxylate

(2,4-dichlorophenyl) morpholine-4-carboxylate (PubChem CID 134989455) has the molecular formula C11H11Cl2NO3 and a molecular weight of 276.12 g/mol. Its IUPAC name is (2,4-dichlorophenyl) morpholine-4-carboxylate.

Molecular Properties

Compound Name(2,4-dichlorophenyl) morpholine-4-carboxylate
PubChem CID134989455
Molecular FormulaC11H11Cl2NO3
Molecular Weight276.12 g/mol
Exact Mass275.01
IUPAC Name(2,4-dichlorophenyl) morpholine-4-carboxylate
SMILESO=C(Oc1ccc(Cl)cc1Cl)N1CCOCC1
InChIInChI=1S/C11H11Cl2NO3/c12-8-1-2-10(9(13)7-8)17-11(15)14-3-5-16-6-4-14/h1-2,7H,3-6H2
InChIKeyXOTNBRLHMOFCOI-UHFFFAOYSA-N
XLogP2.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl) morpholine-4-carboxylate?
The IUPAC name of (2,4-dichlorophenyl) morpholine-4-carboxylate (CID 134989455) is (2,4-dichlorophenyl) morpholine-4-carboxylate.
What is the SMILES notation for (2,4-dichlorophenyl) morpholine-4-carboxylate?
The canonical SMILES for (2,4-dichlorophenyl) morpholine-4-carboxylate is O=C(Oc1ccc(Cl)cc1Cl)N1CCOCC1.
What is the InChIKey of (2,4-dichlorophenyl) morpholine-4-carboxylate?
The InChIKey is XOTNBRLHMOFCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO3/c12-8-1-2-10(9(13)7-8)17-11(15)14-3-5-16-6-4-14/h1-2,7H,3-6H2.
What are the key properties of (2,4-dichlorophenyl) morpholine-4-carboxylate?
(2,4-dichlorophenyl) morpholine-4-carboxylate has a molecular weight of 276.12 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl) morpholine-4-carboxylate is sourced from PubChem (CID 134989455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).