ethyl 4-hydroxy-3-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxylate;hydrochloride

C16H20ClNO5 — CID 2882661

IUPACethyl 4-hydroxy-3-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxylate;hydrochloride
SMILESCCOC(=O)c1oc2cccc(O)c2c1CN1CCOCC1.Cl
InChIInChI=1S/C16H19NO5.ClH/c1-2-21-16(19)15-11(10-17-6-8-20-9-7-17)14-12(18)4-3-5-13(14)22-15;/h3-5,18H,2,6-10H2,1H3;1H
InChIKeyHQQCZTXWFRWTMG-UHFFFAOYSA-N
MW341.79 g/mol
LogP2.57
Rot. Bonds4

About ethyl 4-hydroxy-3-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxylate;hydrochloride

ethyl 4-hydroxy-3-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxylate;hydrochloride (PubChem CID 2882661) has the molecular formula C16H20ClNO5 and a molecular weight of 341.79 g/mol. Its IUPAC name is ethyl 4-hydroxy-3-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-hydroxy-3-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxylate;hydrochloride
PubChem CID2882661
Molecular FormulaC16H20ClNO5
Molecular Weight341.79 g/mol
Exact Mass341.10
IUPAC Nameethyl 4-hydroxy-3-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxylate;hydrochloride
SMILESCCOC(=O)c1oc2cccc(O)c2c1CN1CCOCC1.Cl
InChIInChI=1S/C16H19NO5.ClH/c1-2-21-16(19)15-11(10-17-6-8-20-9-7-17)14-12(18)4-3-5-13(14)22-15;/h3-5,18H,2,6-10H2,1H3;1H
InChIKeyHQQCZTXWFRWTMG-UHFFFAOYSA-N
XLogP2.57
TPSA72.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-3-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-hydroxy-3-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxylate;hydrochloride (CID 2882661) is ethyl 4-hydroxy-3-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-hydroxy-3-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-hydroxy-3-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxylate;hydrochloride is CCOC(=O)c1oc2cccc(O)c2c1CN1CCOCC1.Cl.
What is the InChIKey of ethyl 4-hydroxy-3-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxylate;hydrochloride?
The InChIKey is HQQCZTXWFRWTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5.ClH/c1-2-21-16(19)15-11(10-17-6-8-20-9-7-17)14-12(18)4-3-5-13(14)22-15;/h3-5,18H,2,6-10H2,1H3;1H.
What are the key properties of ethyl 4-hydroxy-3-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxylate;hydrochloride?
ethyl 4-hydroxy-3-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxylate;hydrochloride has a molecular weight of 341.79 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-3-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxylate;hydrochloride is sourced from PubChem (CID 2882661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).