1-[5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]ethanone chloride

C16H19ClNO4- — CID 53314502

IUPAC1-[5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]ethanone chloride
SMILESCC(=O)c1c(C)oc2ccc(O)c(CN3CCOCC3)c12.[Cl-]
InChIInChI=1S/C16H19NO4.ClH/c1-10(18)15-11(2)21-14-4-3-13(19)12(16(14)15)9-17-5-7-20-8-6-17;/h3-4,19H,5-9H2,1-2H3;1H/p-1
InChIKeyFFRIQBTYSKMTAB-UHFFFAOYSA-M
MW324.78 g/mol
LogP-0.51
Rot. Bonds3

About 1-[5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]ethanone chloride

1-[5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]ethanone chloride (PubChem CID 53314502) has the molecular formula C16H19ClNO4- and a molecular weight of 324.78 g/mol. Its IUPAC name is 1-[5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]ethanone chloride.

Molecular Properties

Compound Name1-[5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]ethanone chloride
PubChem CID53314502
Molecular FormulaC16H19ClNO4-
Molecular Weight324.78 g/mol
Exact Mass324.10
IUPAC Name1-[5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]ethanone chloride
SMILESCC(=O)c1c(C)oc2ccc(O)c(CN3CCOCC3)c12.[Cl-]
InChIInChI=1S/C16H19NO4.ClH/c1-10(18)15-11(2)21-14-4-3-13(19)12(16(14)15)9-17-5-7-20-8-6-17;/h3-4,19H,5-9H2,1-2H3;1H/p-1
InChIKeyFFRIQBTYSKMTAB-UHFFFAOYSA-M
XLogP-0.51
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.78
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxamide
CID 7540208
N-(2,6-diethylphenyl)-5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxamide
CID 7540219
ethyl 5-hydroxy-4-(morpholin-4-ylmethyl)-2-phenyl-1-benzofuran-3-carboxylate chloride
CID 46863701
5-hydroxy-2-methyl-N-phenyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide
CID 7539994
4-(azepan-1-ylmethyl)-N-cyclohexyl-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide
CID 7540289
7-hydroxy-3-methyl-8-(morpholin-4-ylmethyl)chromen-2-one;hydrochloride
CID 21159653
3,4-dichloro-2-(morpholin-4-ylmethyl)phenol
CID 12823160
5-hydroxy-2-methyl-4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-phenyl-1-benzofuran-3-carboxamide
CID 7540100
2-(furan-2-yl)-6-hydroxy-5-(morpholin-4-ylmethyl)chromen-4-one
CID 1426444
[5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-(5-methoxy-1-benzofuran-3-yl)methanone
CID 1208316
[5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-naphthalen-2-ylmethanone
CID 127254802
methyl 5-hydroxy-2-methyl-4-[(2-methylpiperidin-1-yl)methyl]-1-benzofuran-3-carboxylate
CID 16800660

Frequently Asked Questions

What is the IUPAC name of 1-[5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]ethanone chloride?
The IUPAC name of 1-[5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]ethanone chloride (CID 53314502) is 1-[5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]ethanone chloride.
What is the SMILES notation for 1-[5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]ethanone chloride?
The canonical SMILES for 1-[5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]ethanone chloride is CC(=O)c1c(C)oc2ccc(O)c(CN3CCOCC3)c12.[Cl-].
What is the InChIKey of 1-[5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]ethanone chloride?
The InChIKey is FFRIQBTYSKMTAB-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H19NO4.ClH/c1-10(18)15-11(2)21-14-4-3-13(19)12(16(14)15)9-17-5-7-20-8-6-17;/h3-4,19H,5-9H2,1-2H3;1H/p-1.
What are the key properties of 1-[5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]ethanone chloride?
1-[5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]ethanone chloride has a molecular weight of 324.78 g/mol, XLogP of -0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]ethanone chloride is sourced from PubChem (CID 53314502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).