6-bromo-1-(2-methoxyethyl)indole

C11H12BrNO — CID 112696117

IUPAC6-bromo-1-(2-methoxyethyl)indole
SMILESCOCCn1ccc2ccc(Br)cc21
InChIInChI=1S/C11H12BrNO/c1-14-7-6-13-5-4-9-2-3-10(12)8-11(9)13/h2-5,8H,6-7H2,1H3
InChIKeyOLHORQQSBCVCLR-UHFFFAOYSA-N
MW254.13 g/mol
LogP3.05
Rot. Bonds3

About 6-bromo-1-(2-methoxyethyl)indole

6-bromo-1-(2-methoxyethyl)indole (PubChem CID 112696117) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is 6-bromo-1-(2-methoxyethyl)indole.

Molecular Properties

Compound Name6-bromo-1-(2-methoxyethyl)indole
PubChem CID112696117
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name6-bromo-1-(2-methoxyethyl)indole
SMILESCOCCn1ccc2ccc(Br)cc21
InChIInChI=1S/C11H12BrNO/c1-14-7-6-13-5-4-9-2-3-10(12)8-11(9)13/h2-5,8H,6-7H2,1H3
InChIKeyOLHORQQSBCVCLR-UHFFFAOYSA-N
XLogP3.05
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(2-methoxyethyl)indole?
The IUPAC name of 6-bromo-1-(2-methoxyethyl)indole (CID 112696117) is 6-bromo-1-(2-methoxyethyl)indole.
What is the SMILES notation for 6-bromo-1-(2-methoxyethyl)indole?
The canonical SMILES for 6-bromo-1-(2-methoxyethyl)indole is COCCn1ccc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-1-(2-methoxyethyl)indole?
The InChIKey is OLHORQQSBCVCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c1-14-7-6-13-5-4-9-2-3-10(12)8-11(9)13/h2-5,8H,6-7H2,1H3.
What are the key properties of 6-bromo-1-(2-methoxyethyl)indole?
6-bromo-1-(2-methoxyethyl)indole has a molecular weight of 254.13 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(2-methoxyethyl)indole is sourced from PubChem (CID 112696117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).