2-chloro-6-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid

C13H14ClNO5 — CID 78975266

IUPAC2-chloro-6-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
SMILESO=C(O)c1c(Cl)cccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C13H14ClNO5/c14-9-2-1-3-10(12(9)13(17)18)20-8-11(16)15-4-6-19-7-5-15/h1-3H,4-8H2,(H,17,18)
InChIKeyLWLUTDWTSNXKKG-UHFFFAOYSA-N
MW299.71 g/mol
LogP1.28
Rot. Bonds4

About 2-chloro-6-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid

2-chloro-6-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid (PubChem CID 78975266) has the molecular formula C13H14ClNO5 and a molecular weight of 299.71 g/mol. Its IUPAC name is 2-chloro-6-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid.

Molecular Properties

Compound Name2-chloro-6-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
PubChem CID78975266
Molecular FormulaC13H14ClNO5
Molecular Weight299.71 g/mol
Exact Mass299.06
IUPAC Name2-chloro-6-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
SMILESO=C(O)c1c(Cl)cccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C13H14ClNO5/c14-9-2-1-3-10(12(9)13(17)18)20-8-11(16)15-4-6-19-7-5-15/h1-3H,4-8H2,(H,17,18)
InChIKeyLWLUTDWTSNXKKG-UHFFFAOYSA-N
XLogP1.28
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.71
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenoxy)-1-morpholin-4-ylethanone
CID 905479
2-(2-bromophenoxy)-1-morpholin-4-ylethanone
CID 725441
1-morpholin-4-yl-2-naphthalen-1-yloxyethanone
CID 954548
2-[2-chloro-6-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone
CID 112612580
2-amino-3-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 79778699
2-(2-chloro-4-fluorophenoxy)-1-morpholin-4-ylethanone
CID 17190853
3-(2-morpholin-4-yl-2-oxoethoxy)pyridine-2-carboxylic acid
CID 61380057
2-[2-(aminomethyl)-3-fluorophenoxy]-1-morpholin-4-ylethanone
CID 43609224
2-[2-(azetidin-1-yl)-2-oxoethoxy]-6-fluorobenzoic acid
CID 107014105
2-[2-(1,3-dibenzylimidazolidin-2-yl)phenoxy]-1-morpholin-4-ylethanone
CID 4689898
2-(2,4-difluorophenoxy)-1-morpholin-4-ylethanone
CID 17190869
5-(2-morpholin-4-yl-2-oxoethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65456337

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid?
The IUPAC name of 2-chloro-6-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid (CID 78975266) is 2-chloro-6-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid.
What is the SMILES notation for 2-chloro-6-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid?
The canonical SMILES for 2-chloro-6-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid is O=C(O)c1c(Cl)cccc1OCC(=O)N1CCOCC1.
What is the InChIKey of 2-chloro-6-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid?
The InChIKey is LWLUTDWTSNXKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO5/c14-9-2-1-3-10(12(9)13(17)18)20-8-11(16)15-4-6-19-7-5-15/h1-3H,4-8H2,(H,17,18).
What are the key properties of 2-chloro-6-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid?
2-chloro-6-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid has a molecular weight of 299.71 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid is sourced from PubChem (CID 78975266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).