4-bromo-6-(methoxymethyl)-1-methylindole

C11H12BrNO — CID 163231324

IUPAC4-bromo-6-(methoxymethyl)-1-methylindole
SMILESCOCc1cc(Br)c2ccn(C)c2c1
InChIInChI=1S/C11H12BrNO/c1-13-4-3-9-10(12)5-8(7-14-2)6-11(9)13/h3-6H,7H2,1-2H3
InChIKeyIFTNNLMTBSIFHN-UHFFFAOYSA-N
MW254.13 g/mol
LogP3.09
Rot. Bonds2

About 4-bromo-6-(methoxymethyl)-1-methylindole

4-bromo-6-(methoxymethyl)-1-methylindole (PubChem CID 163231324) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is 4-bromo-6-(methoxymethyl)-1-methylindole.

Molecular Properties

Compound Name4-bromo-6-(methoxymethyl)-1-methylindole
PubChem CID163231324
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name4-bromo-6-(methoxymethyl)-1-methylindole
SMILESCOCc1cc(Br)c2ccn(C)c2c1
InChIInChI=1S/C11H12BrNO/c1-13-4-3-9-10(12)5-8(7-14-2)6-11(9)13/h3-6H,7H2,1-2H3
InChIKeyIFTNNLMTBSIFHN-UHFFFAOYSA-N
XLogP3.09
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(methoxymethyl)-1-methylindole?
The IUPAC name of 4-bromo-6-(methoxymethyl)-1-methylindole (CID 163231324) is 4-bromo-6-(methoxymethyl)-1-methylindole.
What is the SMILES notation for 4-bromo-6-(methoxymethyl)-1-methylindole?
The canonical SMILES for 4-bromo-6-(methoxymethyl)-1-methylindole is COCc1cc(Br)c2ccn(C)c2c1.
What is the InChIKey of 4-bromo-6-(methoxymethyl)-1-methylindole?
The InChIKey is IFTNNLMTBSIFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c1-13-4-3-9-10(12)5-8(7-14-2)6-11(9)13/h3-6H,7H2,1-2H3.
What are the key properties of 4-bromo-6-(methoxymethyl)-1-methylindole?
4-bromo-6-(methoxymethyl)-1-methylindole has a molecular weight of 254.13 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(methoxymethyl)-1-methylindole is sourced from PubChem (CID 163231324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).