2-chloro-6-(2-ethylmorpholin-4-yl)benzoic acid

C13H16ClNO3 — CID 43562848

IUPAC2-chloro-6-(2-ethylmorpholin-4-yl)benzoic acid
SMILESCCC1CN(c2cccc(Cl)c2C(=O)O)CCO1
InChIInChI=1S/C13H16ClNO3/c1-2-9-8-15(6-7-18-9)11-5-3-4-10(14)12(11)13(16)17/h3-5,9H,2,6-8H2,1H3,(H,16,17)
InChIKeyDQBAJXAWFDDIFG-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.65
Rot. Bonds3

About 2-chloro-6-(2-ethylmorpholin-4-yl)benzoic acid

2-chloro-6-(2-ethylmorpholin-4-yl)benzoic acid (PubChem CID 43562848) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-chloro-6-(2-ethylmorpholin-4-yl)benzoic acid.

Molecular Properties

Compound Name2-chloro-6-(2-ethylmorpholin-4-yl)benzoic acid
PubChem CID43562848
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name2-chloro-6-(2-ethylmorpholin-4-yl)benzoic acid
SMILESCCC1CN(c2cccc(Cl)c2C(=O)O)CCO1
InChIInChI=1S/C13H16ClNO3/c1-2-9-8-15(6-7-18-9)11-5-3-4-10(14)12(11)13(16)17/h3-5,9H,2,6-8H2,1H3,(H,16,17)
InChIKeyDQBAJXAWFDDIFG-UHFFFAOYSA-N
XLogP2.65
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-ethylmorpholin-4-yl)benzoic acid?
The IUPAC name of 2-chloro-6-(2-ethylmorpholin-4-yl)benzoic acid (CID 43562848) is 2-chloro-6-(2-ethylmorpholin-4-yl)benzoic acid.
What is the SMILES notation for 2-chloro-6-(2-ethylmorpholin-4-yl)benzoic acid?
The canonical SMILES for 2-chloro-6-(2-ethylmorpholin-4-yl)benzoic acid is CCC1CN(c2cccc(Cl)c2C(=O)O)CCO1.
What is the InChIKey of 2-chloro-6-(2-ethylmorpholin-4-yl)benzoic acid?
The InChIKey is DQBAJXAWFDDIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-2-9-8-15(6-7-18-9)11-5-3-4-10(14)12(11)13(16)17/h3-5,9H,2,6-8H2,1H3,(H,16,17).
What are the key properties of 2-chloro-6-(2-ethylmorpholin-4-yl)benzoic acid?
2-chloro-6-(2-ethylmorpholin-4-yl)benzoic acid has a molecular weight of 269.73 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-ethylmorpholin-4-yl)benzoic acid is sourced from PubChem (CID 43562848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).