2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]-1-morpholin-4-ylethanone

C14H17NO5 — CID 63096969

IUPAC2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]-1-morpholin-4-ylethanone
SMILESO=C(COc1ccc2c(c1)OCC2O)N1CCOCC1
InChIInChI=1S/C14H17NO5/c16-12-8-20-13-7-10(1-2-11(12)13)19-9-14(17)15-3-5-18-6-4-15/h1-2,7,12,16H,3-6,8-9H2
InChIKeyDMUHQQGUMVULTJ-UHFFFAOYSA-N
MW279.29 g/mol
LogP0.35
Rot. Bonds3

About 2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]-1-morpholin-4-ylethanone

2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]-1-morpholin-4-ylethanone (PubChem CID 63096969) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]-1-morpholin-4-ylethanone
PubChem CID63096969
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]-1-morpholin-4-ylethanone
SMILESO=C(COc1ccc2c(c1)OCC2O)N1CCOCC1
InChIInChI=1S/C14H17NO5/c16-12-8-20-13-7-10(1-2-11(12)13)19-9-14(17)15-3-5-18-6-4-15/h1-2,7,12,16H,3-6,8-9H2
InChIKeyDMUHQQGUMVULTJ-UHFFFAOYSA-N
XLogP0.35
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]acetate
CID 63097126
2-(1,3-benzodioxol-5-yloxy)-1-pyrrolidin-1-ylethanone
CID 6458739
2-(4-hydroxyphenoxy)-1-morpholin-4-ylethanone
CID 43143408
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
2-(3-acetylphenoxy)-1-morpholin-4-ylethanone
CID 685737
6-(3-fluoropropoxy)-2,3-dihydro-1-benzofuran-3-ol
CID 81113494
1-(azepan-1-yl)-2-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]ethanone
CID 107684569
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,3-benzodioxole-5-carboxamide
CID 992710
6-[2-(4-bromophenoxy)ethoxy]-2,3-dihydro-1-benzofuran-3-ol
CID 63096773
2-[4-(ethylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
CID 43276966
6-(3,3,3-trifluoro-2-hydroxypropoxy)-2,3-dihydro-1-benzofuran-3-ol
CID 63901709
2-fluoro-4-(2-morpholin-4-yl-2-oxoethoxy)benzonitrile
CID 78952730

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]-1-morpholin-4-ylethanone (CID 63096969) is 2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]-1-morpholin-4-ylethanone is O=C(COc1ccc2c(c1)OCC2O)N1CCOCC1.
What is the InChIKey of 2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]-1-morpholin-4-ylethanone?
The InChIKey is DMUHQQGUMVULTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c16-12-8-20-13-7-10(1-2-11(12)13)19-9-14(17)15-3-5-18-6-4-15/h1-2,7,12,16H,3-6,8-9H2.
What are the key properties of 2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]-1-morpholin-4-ylethanone?
2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]-1-morpholin-4-ylethanone has a molecular weight of 279.29 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 63096969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).