7-bromo-3-ethoxy-4-methyl-1H-indole

C11H12BrNO — CID 130113819

IUPAC7-bromo-3-ethoxy-4-methyl-1H-indole
SMILESCCOc1c[nH]c2c(Br)ccc(C)c12
InChIInChI=1S/C11H12BrNO/c1-3-14-9-6-13-11-8(12)5-4-7(2)10(9)11/h4-6,13H,3H2,1-2H3
InChIKeyHPGBGVKBTCOGRQ-UHFFFAOYSA-N
MW254.13 g/mol
LogP3.64
Rot. Bonds2

About 7-bromo-3-ethoxy-4-methyl-1H-indole

7-bromo-3-ethoxy-4-methyl-1H-indole (PubChem CID 130113819) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is 7-bromo-3-ethoxy-4-methyl-1H-indole.

Molecular Properties

Compound Name7-bromo-3-ethoxy-4-methyl-1H-indole
PubChem CID130113819
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name7-bromo-3-ethoxy-4-methyl-1H-indole
SMILESCCOc1c[nH]c2c(Br)ccc(C)c12
InChIInChI=1S/C11H12BrNO/c1-3-14-9-6-13-11-8(12)5-4-7(2)10(9)11/h4-6,13H,3H2,1-2H3
InChIKeyHPGBGVKBTCOGRQ-UHFFFAOYSA-N
XLogP3.64
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-ethoxy-4-methyl-1H-indole?
The IUPAC name of 7-bromo-3-ethoxy-4-methyl-1H-indole (CID 130113819) is 7-bromo-3-ethoxy-4-methyl-1H-indole.
What is the SMILES notation for 7-bromo-3-ethoxy-4-methyl-1H-indole?
The canonical SMILES for 7-bromo-3-ethoxy-4-methyl-1H-indole is CCOc1c[nH]c2c(Br)ccc(C)c12.
What is the InChIKey of 7-bromo-3-ethoxy-4-methyl-1H-indole?
The InChIKey is HPGBGVKBTCOGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c1-3-14-9-6-13-11-8(12)5-4-7(2)10(9)11/h4-6,13H,3H2,1-2H3.
What are the key properties of 7-bromo-3-ethoxy-4-methyl-1H-indole?
7-bromo-3-ethoxy-4-methyl-1H-indole has a molecular weight of 254.13 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-ethoxy-4-methyl-1H-indole is sourced from PubChem (CID 130113819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).