1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-morpholin-4-ylphenyl]ethanone

C20H21NO4 — CID 72938581

IUPAC1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-morpholin-4-ylphenyl]ethanone
SMILESCC(=O)c1ccc(N2CCOCC2)c(-c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C20H21NO4/c1-14(22)15-2-4-18(21-6-8-23-9-7-21)17(12-15)16-3-5-19-20(13-16)25-11-10-24-19/h2-5,12-13H,6-11H2,1H3
InChIKeyJQPPSCWZGSIZFY-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.16
Rot. Bonds3

About 1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-morpholin-4-ylphenyl]ethanone

1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-morpholin-4-ylphenyl]ethanone (PubChem CID 72938581) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-morpholin-4-ylphenyl]ethanone.

Molecular Properties

Compound Name1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-morpholin-4-ylphenyl]ethanone
PubChem CID72938581
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-morpholin-4-ylphenyl]ethanone
SMILESCC(=O)c1ccc(N2CCOCC2)c(-c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C20H21NO4/c1-14(22)15-2-4-18(21-6-8-23-9-7-21)17(12-15)16-3-5-19-20(13-16)25-11-10-24-19/h2-5,12-13H,6-11H2,1H3
InChIKeyJQPPSCWZGSIZFY-UHFFFAOYSA-N
XLogP3.16
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(21-acetyl-2,5,12,15,18-pentaoxatricyclo[17.4.0.06,11]tricosa-1(19),6(11),7,9,20,22-hexaen-8-yl)ethanone
CID 3935960
1-(2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-yl)ethanone
CID 3911959
N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 2996589
1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-3-fluorophenyl]ethanone
CID 26541812
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-morpholin-4-yl-3-nitrobenzamide
CID 3491966
1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
CID 20729332
N-(5-acetyl-2-morpholin-4-ylphenyl)prop-2-enamide
CID 137322001
1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-pyrazol-3-yl]phenyl]ethanone
CID 58913575
17-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
CID 23636185
20-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
CID 101436486
[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophen-2-yl]-morpholin-4-ylmethanone
CID 18105362
5-acetyl-1-benzofuran-3-one
CID 23008718

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-morpholin-4-ylphenyl]ethanone?
The IUPAC name of 1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-morpholin-4-ylphenyl]ethanone (CID 72938581) is 1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-morpholin-4-ylphenyl]ethanone.
What is the SMILES notation for 1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-morpholin-4-ylphenyl]ethanone?
The canonical SMILES for 1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-morpholin-4-ylphenyl]ethanone is CC(=O)c1ccc(N2CCOCC2)c(-c2ccc3c(c2)OCCO3)c1.
What is the InChIKey of 1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-morpholin-4-ylphenyl]ethanone?
The InChIKey is JQPPSCWZGSIZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-14(22)15-2-4-18(21-6-8-23-9-7-21)17(12-15)16-3-5-19-20(13-16)25-11-10-24-19/h2-5,12-13H,6-11H2,1H3.
What are the key properties of 1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-morpholin-4-ylphenyl]ethanone?
1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-morpholin-4-ylphenyl]ethanone has a molecular weight of 339.39 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-morpholin-4-ylphenyl]ethanone is sourced from PubChem (CID 72938581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).