2-(6-chloro-1-benzofuran-3-yl)-1-[3-(2-hydroxyethyl)morpholin-4-yl]ethanone

C16H18ClNO4 — CID 136554940

IUPAC2-(6-chloro-1-benzofuran-3-yl)-1-[3-(2-hydroxyethyl)morpholin-4-yl]ethanone
SMILESO=C(Cc1coc2cc(Cl)ccc12)N1CCOCC1CCO
InChIInChI=1S/C16H18ClNO4/c17-12-1-2-14-11(9-22-15(14)8-12)7-16(20)18-4-6-21-10-13(18)3-5-19/h1-2,8-9,13,19H,3-7,10H2
InChIKeyHXYXRAAHIFHLHR-UHFFFAOYSA-N
MW323.78 g/mol
LogP2.24
Rot. Bonds4

About 2-(6-chloro-1-benzofuran-3-yl)-1-[3-(2-hydroxyethyl)morpholin-4-yl]ethanone

2-(6-chloro-1-benzofuran-3-yl)-1-[3-(2-hydroxyethyl)morpholin-4-yl]ethanone (PubChem CID 136554940) has the molecular formula C16H18ClNO4 and a molecular weight of 323.78 g/mol. Its IUPAC name is 2-(6-chloro-1-benzofuran-3-yl)-1-[3-(2-hydroxyethyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(6-chloro-1-benzofuran-3-yl)-1-[3-(2-hydroxyethyl)morpholin-4-yl]ethanone
PubChem CID136554940
Molecular FormulaC16H18ClNO4
Molecular Weight323.78 g/mol
Exact Mass323.09
IUPAC Name2-(6-chloro-1-benzofuran-3-yl)-1-[3-(2-hydroxyethyl)morpholin-4-yl]ethanone
SMILESO=C(Cc1coc2cc(Cl)ccc12)N1CCOCC1CCO
InChIInChI=1S/C16H18ClNO4/c17-12-1-2-14-11(9-22-15(14)8-12)7-16(20)18-4-6-21-10-13(18)3-5-19/h1-2,8-9,13,19H,3-7,10H2
InChIKeyHXYXRAAHIFHLHR-UHFFFAOYSA-N
XLogP2.24
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1-benzofuran-3-yl)-1-[3-(2-hydroxyethyl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(6-chloro-1-benzofuran-3-yl)-1-[3-(2-hydroxyethyl)morpholin-4-yl]ethanone (CID 136554940) is 2-(6-chloro-1-benzofuran-3-yl)-1-[3-(2-hydroxyethyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(6-chloro-1-benzofuran-3-yl)-1-[3-(2-hydroxyethyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(6-chloro-1-benzofuran-3-yl)-1-[3-(2-hydroxyethyl)morpholin-4-yl]ethanone is O=C(Cc1coc2cc(Cl)ccc12)N1CCOCC1CCO.
What is the InChIKey of 2-(6-chloro-1-benzofuran-3-yl)-1-[3-(2-hydroxyethyl)morpholin-4-yl]ethanone?
The InChIKey is HXYXRAAHIFHLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO4/c17-12-1-2-14-11(9-22-15(14)8-12)7-16(20)18-4-6-21-10-13(18)3-5-19/h1-2,8-9,13,19H,3-7,10H2.
What are the key properties of 2-(6-chloro-1-benzofuran-3-yl)-1-[3-(2-hydroxyethyl)morpholin-4-yl]ethanone?
2-(6-chloro-1-benzofuran-3-yl)-1-[3-(2-hydroxyethyl)morpholin-4-yl]ethanone has a molecular weight of 323.78 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1-benzofuran-3-yl)-1-[3-(2-hydroxyethyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 136554940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).