7-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indole

C16H13NO2 — CID 164566293

IUPAC7-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indole
SMILESc1cc(-c2ccc3c(c2)OCCO3)c2[nH]ccc2c1
InChIInChI=1S/C16H13NO2/c1-2-11-6-7-17-16(11)13(3-1)12-4-5-14-15(10-12)19-9-8-18-14/h1-7,10,17H,8-9H2
InChIKeyUBUUYGHXAXDPHR-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.61
Rot. Bonds1

About 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indole

7-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indole (PubChem CID 164566293) has the molecular formula C16H13NO2 and a molecular weight of 251.28 g/mol. Its IUPAC name is 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indole.

Molecular Properties

Compound Name7-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indole
PubChem CID164566293
Molecular FormulaC16H13NO2
Molecular Weight251.28 g/mol
Exact Mass251.09
IUPAC Name7-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indole
SMILESc1cc(-c2ccc3c(c2)OCCO3)c2[nH]ccc2c1
InChIInChI=1S/C16H13NO2/c1-2-11-6-7-17-16(11)13(3-1)12-4-5-14-15(10-12)19-9-8-18-14/h1-7,10,17H,8-9H2
InChIKeyUBUUYGHXAXDPHR-UHFFFAOYSA-N
XLogP3.61
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrole
CID 67816809
6-(2-bromo-3-methylphenyl)-2,3-dihydro-1,4-benzodioxine
CID 138488049
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-fluoroaniline
CID 107602794
7-[6-[6-(1H-indol-7-yl)-2-pyridinyl]-2-pyridinyl]-1H-indole
CID 145302463
7-pyrimidin-5-yl-1H-indole
CID 155804260
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyridine
CID 90367961
[4-[2-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]phenyl]methanol
CID 164615298
7-[3-(trifluoromethoxy)phenyl]-1H-indole
CID 59107903
[4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]phenyl]methanol
CID 164615718
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluorobenzonitrile
CID 162515176
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

Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indole?
The IUPAC name of 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indole (CID 164566293) is 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indole.
What is the SMILES notation for 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indole?
The canonical SMILES for 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indole is c1cc(-c2ccc3c(c2)OCCO3)c2[nH]ccc2c1.
What is the InChIKey of 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indole?
The InChIKey is UBUUYGHXAXDPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-2-11-6-7-17-16(11)13(3-1)12-4-5-14-15(10-12)19-9-8-18-14/h1-7,10,17H,8-9H2.
What are the key properties of 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indole?
7-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indole has a molecular weight of 251.28 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indole is sourced from PubChem (CID 164566293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).