(2-morpholin-4-yl-2-oxoethyl) 3-chloro-5-ethoxy-4-hydroxybenzoate

C15H18ClNO6 — CID 2460410

IUPAC(2-morpholin-4-yl-2-oxoethyl) 3-chloro-5-ethoxy-4-hydroxybenzoate
SMILESCCOc1cc(C(=O)OCC(=O)N2CCOCC2)cc(Cl)c1O
InChIInChI=1S/C15H18ClNO6/c1-2-22-12-8-10(7-11(16)14(12)19)15(20)23-9-13(18)17-3-5-21-6-4-17/h7-8,19H,2-6,9H2,1H3
InChIKeyLDRMOHAITOAZGP-UHFFFAOYSA-N
MW343.76 g/mol
LogP1.46
Rot. Bonds5

About (2-morpholin-4-yl-2-oxoethyl) 3-chloro-5-ethoxy-4-hydroxybenzoate

(2-morpholin-4-yl-2-oxoethyl) 3-chloro-5-ethoxy-4-hydroxybenzoate (PubChem CID 2460410) has the molecular formula C15H18ClNO6 and a molecular weight of 343.76 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 3-chloro-5-ethoxy-4-hydroxybenzoate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 3-chloro-5-ethoxy-4-hydroxybenzoate
PubChem CID2460410
Molecular FormulaC15H18ClNO6
Molecular Weight343.76 g/mol
Exact Mass343.08
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 3-chloro-5-ethoxy-4-hydroxybenzoate
SMILESCCOc1cc(C(=O)OCC(=O)N2CCOCC2)cc(Cl)c1O
InChIInChI=1S/C15H18ClNO6/c1-2-22-12-8-10(7-11(16)14(12)19)15(20)23-9-13(18)17-3-5-21-6-4-17/h7-8,19H,2-6,9H2,1H3
InChIKeyLDRMOHAITOAZGP-UHFFFAOYSA-N
XLogP1.46
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.76
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 3-chloro-5-ethoxy-4-hydroxybenzoate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 3-chloro-5-ethoxy-4-hydroxybenzoate (CID 2460410) is (2-morpholin-4-yl-2-oxoethyl) 3-chloro-5-ethoxy-4-hydroxybenzoate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 3-chloro-5-ethoxy-4-hydroxybenzoate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 3-chloro-5-ethoxy-4-hydroxybenzoate is CCOc1cc(C(=O)OCC(=O)N2CCOCC2)cc(Cl)c1O.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 3-chloro-5-ethoxy-4-hydroxybenzoate?
The InChIKey is LDRMOHAITOAZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO6/c1-2-22-12-8-10(7-11(16)14(12)19)15(20)23-9-13(18)17-3-5-21-6-4-17/h7-8,19H,2-6,9H2,1H3.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) 3-chloro-5-ethoxy-4-hydroxybenzoate?
(2-morpholin-4-yl-2-oxoethyl) 3-chloro-5-ethoxy-4-hydroxybenzoate has a molecular weight of 343.76 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxoethyl) 3-chloro-5-ethoxy-4-hydroxybenzoate is sourced from PubChem (CID 2460410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).