1-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-3-(1H-indol-4-yloxy)propan-2-ol

C19H19NO5 — CID 166212862

IUPAC1-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-3-(1H-indol-4-yloxy)propan-2-ol
SMILESOC(COc1cccc2c1OCCO2)COc1cccc2[nH]ccc12
InChIInChI=1S/C19H19NO5/c21-13(11-24-16-4-1-3-15-14(16)7-8-20-15)12-25-18-6-2-5-17-19(18)23-10-9-22-17/h1-8,13,20-21H,9-12H2
InChIKeyPEPHOYJMYARLMS-UHFFFAOYSA-N
MW341.36 g/mol
LogP2.76
Rot. Bonds6

About 1-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-3-(1H-indol-4-yloxy)propan-2-ol

1-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-3-(1H-indol-4-yloxy)propan-2-ol (PubChem CID 166212862) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-3-(1H-indol-4-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-3-(1H-indol-4-yloxy)propan-2-ol
PubChem CID166212862
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-3-(1H-indol-4-yloxy)propan-2-ol
SMILESOC(COc1cccc2c1OCCO2)COc1cccc2[nH]ccc12
InChIInChI=1S/C19H19NO5/c21-13(11-24-16-4-1-3-15-14(16)7-8-20-15)12-25-18-6-2-5-17-19(18)23-10-9-22-17/h1-8,13,20-21H,9-12H2
InChIKeyPEPHOYJMYARLMS-UHFFFAOYSA-N
XLogP2.76
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-3-(1H-indol-4-yloxy)propan-2-ol with MolForge

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Related Compounds

(2S)-1-[[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]-propan-2-ylamino]-3-(1H-indol-4-yloxy)propan-2-ol
CID 95162634
(2S)-1-(1H-indol-4-yloxy)-3-[morpholin-4-yl(propyl)amino]propan-2-ol
CID 67664959
[(2S)-3-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-2-hydroxypropyl]-propan-2-ylazanium
CID 7372980
2-[2-hydroxy-3-(1H-indol-4-yloxy)propoxy]benzonitrile
CID 75432801
(2S)-1-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-3-(propan-2-ylamino)propan-2-ol
CID 7372981
2-hydroxy-3-(1H-indol-4-yloxy)propanoic acid
CID 13116553
(2R)-1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 172866223
1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-(1H-indol-4-yloxy)propan-2-ol
CID 155171662
1-(butan-2-ylamino)-3-(1H-indol-4-yloxy)propan-2-ol
CID 12790151
1-(1H-indol-4-yloxy)-3-[(3-methylcyclohexyl)amino]propan-2-ol
CID 22113437
3-fluoro-4-[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propoxy]benzonitrile
CID 99850511
1-(1H-indol-4-yloxy)-3-(3-nitrophenoxy)propan-2-ol
CID 109413074

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-3-(1H-indol-4-yloxy)propan-2-ol?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-3-(1H-indol-4-yloxy)propan-2-ol (CID 166212862) is 1-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-3-(1H-indol-4-yloxy)propan-2-ol.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-3-(1H-indol-4-yloxy)propan-2-ol?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-3-(1H-indol-4-yloxy)propan-2-ol is OC(COc1cccc2c1OCCO2)COc1cccc2[nH]ccc12.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-3-(1H-indol-4-yloxy)propan-2-ol?
The InChIKey is PEPHOYJMYARLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c21-13(11-24-16-4-1-3-15-14(16)7-8-20-15)12-25-18-6-2-5-17-19(18)23-10-9-22-17/h1-8,13,20-21H,9-12H2.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-3-(1H-indol-4-yloxy)propan-2-ol?
1-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-3-(1H-indol-4-yloxy)propan-2-ol has a molecular weight of 341.36 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-3-(1H-indol-4-yloxy)propan-2-ol is sourced from PubChem (CID 166212862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).