6-bromo-3,3-diethyl-7-methoxy-1,2-dihydroindole

C13H18BrNO — CID 90034768

IUPAC6-bromo-3,3-diethyl-7-methoxy-1,2-dihydroindole
SMILESCCC1(CC)CNc2c1ccc(Br)c2OC
InChIInChI=1S/C13H18BrNO/c1-4-13(5-2)8-15-11-9(13)6-7-10(14)12(11)16-3/h6-7,15H,4-5,8H2,1-3H3
InChIKeyIOXNJGVTYPUQTA-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.94
Rot. Bonds3

About 6-bromo-3,3-diethyl-7-methoxy-1,2-dihydroindole

6-bromo-3,3-diethyl-7-methoxy-1,2-dihydroindole (PubChem CID 90034768) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 6-bromo-3,3-diethyl-7-methoxy-1,2-dihydroindole.

Molecular Properties

Compound Name6-bromo-3,3-diethyl-7-methoxy-1,2-dihydroindole
PubChem CID90034768
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name6-bromo-3,3-diethyl-7-methoxy-1,2-dihydroindole
SMILESCCC1(CC)CNc2c1ccc(Br)c2OC
InChIInChI=1S/C13H18BrNO/c1-4-13(5-2)8-15-11-9(13)6-7-10(14)12(11)16-3/h6-7,15H,4-5,8H2,1-3H3
InChIKeyIOXNJGVTYPUQTA-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3,3-diethyl-7-methoxy-1,2-dihydroindole?
The IUPAC name of 6-bromo-3,3-diethyl-7-methoxy-1,2-dihydroindole (CID 90034768) is 6-bromo-3,3-diethyl-7-methoxy-1,2-dihydroindole.
What is the SMILES notation for 6-bromo-3,3-diethyl-7-methoxy-1,2-dihydroindole?
The canonical SMILES for 6-bromo-3,3-diethyl-7-methoxy-1,2-dihydroindole is CCC1(CC)CNc2c1ccc(Br)c2OC.
What is the InChIKey of 6-bromo-3,3-diethyl-7-methoxy-1,2-dihydroindole?
The InChIKey is IOXNJGVTYPUQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-4-13(5-2)8-15-11-9(13)6-7-10(14)12(11)16-3/h6-7,15H,4-5,8H2,1-3H3.
What are the key properties of 6-bromo-3,3-diethyl-7-methoxy-1,2-dihydroindole?
6-bromo-3,3-diethyl-7-methoxy-1,2-dihydroindole has a molecular weight of 284.20 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3,3-diethyl-7-methoxy-1,2-dihydroindole is sourced from PubChem (CID 90034768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).