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

C17H14BrNO2 — CID 58164284

IUPAC6-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-3H-indole
SMILESCc1cc(Br)cc2c1CC(C1COc3ccccc3O1)=N2
InChIInChI=1S/C17H14BrNO2/c1-10-6-11(18)7-13-12(10)8-14(19-13)17-9-20-15-4-2-3-5-16(15)21-17/h2-7,17H,8-9H2,1H3
InChIKeySWBZPLBKTSSXAC-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.23
Rot. Bonds1

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

6-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-3H-indole (PubChem CID 58164284) has the molecular formula C17H14BrNO2 and a molecular weight of 344.21 g/mol. Its IUPAC name is 6-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-3H-indole.

Molecular Properties

Compound Name6-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-3H-indole
PubChem CID58164284
Molecular FormulaC17H14BrNO2
Molecular Weight344.21 g/mol
Exact Mass343.02
IUPAC Name6-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-3H-indole
SMILESCc1cc(Br)cc2c1CC(C1COc3ccccc3O1)=N2
InChIInChI=1S/C17H14BrNO2/c1-10-6-11(18)7-13-12(10)8-14(19-13)17-9-20-15-4-2-3-5-16(15)21-17/h2-7,17H,8-9H2,1H3
InChIKeySWBZPLBKTSSXAC-UHFFFAOYSA-N
XLogP4.23
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-6-pyridin-4-yl-3H-indole
CID 58164156
4-bromo-6-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]pyrimidine
CID 129498299
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methylpyridine
CID 135025433
6-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-fluoro-1H-benzimidazole
CID 58164285
5-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 17015658
[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,6-dimethylpyrimidin-5-yl]methanamine
CID 65351595
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-iodo-1,3,4-thiadiazole
CID 63383797
3-(1,3-benzodioxol-5-yl)-2,3-dihydro-1,4-benzodioxine
CID 57131096
4-(2,3-dihydro-1,4-benzodioxin-3-yl)benzene-1,2-diol
CID 10149192
3-(5-bromo-3-pyridinyl)-6-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 42580798
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477522
2-chloro-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole
CID 114771029

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-3H-indole?
The IUPAC name of 6-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-3H-indole (CID 58164284) is 6-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-3H-indole.
What is the SMILES notation for 6-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-3H-indole?
The canonical SMILES for 6-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-3H-indole is Cc1cc(Br)cc2c1CC(C1COc3ccccc3O1)=N2.
What is the InChIKey of 6-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-3H-indole?
The InChIKey is SWBZPLBKTSSXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO2/c1-10-6-11(18)7-13-12(10)8-14(19-13)17-9-20-15-4-2-3-5-16(15)21-17/h2-7,17H,8-9H2,1H3.
What are the key properties of 6-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-3H-indole?
6-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-3H-indole has a molecular weight of 344.21 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-3H-indole is sourced from PubChem (CID 58164284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).