3-bromo-5-methoxy-1H-indole;ethane

C11H14BrNO — CID 145418707

IUPAC3-bromo-5-methoxy-1H-indole;ethane
SMILESCC.COc1ccc2[nH]cc(Br)c2c1
InChIInChI=1S/C9H8BrNO.C2H6/c1-12-6-2-3-9-7(4-6)8(10)5-11-9;1-2/h2-5,11H,1H3;1-2H3
InChIKeyHODZQHUUUYAAQD-UHFFFAOYSA-N
MW256.14 g/mol
LogP3.97
Rot. Bonds1

About 3-bromo-5-methoxy-1H-indole;ethane

3-bromo-5-methoxy-1H-indole;ethane (PubChem CID 145418707) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 3-bromo-5-methoxy-1H-indole;ethane.

Molecular Properties

Compound Name3-bromo-5-methoxy-1H-indole;ethane
PubChem CID145418707
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name3-bromo-5-methoxy-1H-indole;ethane
SMILESCC.COc1ccc2[nH]cc(Br)c2c1
InChIInChI=1S/C9H8BrNO.C2H6/c1-12-6-2-3-9-7(4-6)8(10)5-11-9;1-2/h2-5,11H,1H3;1-2H3
InChIKeyHODZQHUUUYAAQD-UHFFFAOYSA-N
XLogP3.97
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-bromo-1H-pyrrol-3-yl)-5-methoxy-1H-indole
CID 70291499
5-methoxy-3-(3,3,3-trifluoropropyl)-1H-indole
CID 102104245
3-(2-ethoxyethyl)-5-methoxy-1H-indole
CID 167475271
2-(5-methoxy-1H-indol-3-yl)ethyl-bis(prop-2-enyl)azanium
CID 86307010
(2-bromophenyl)-(5-methoxy-1H-indol-3-yl)methanone
CID 43340488
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 74405227
2,2,2-trifluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)ethanamine
CID 172624963
(3-bromothiophen-2-yl)-(5-methoxy-1H-indol-3-yl)methanone
CID 55239533
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride
CID 24802109
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrole-2,5-diol
CID 123758816
4-methoxy-N-[(5-methoxy-1H-indol-3-yl)methyl]aniline
CID 20509727

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methoxy-1H-indole;ethane?
The IUPAC name of 3-bromo-5-methoxy-1H-indole;ethane (CID 145418707) is 3-bromo-5-methoxy-1H-indole;ethane.
What is the SMILES notation for 3-bromo-5-methoxy-1H-indole;ethane?
The canonical SMILES for 3-bromo-5-methoxy-1H-indole;ethane is CC.COc1ccc2[nH]cc(Br)c2c1.
What is the InChIKey of 3-bromo-5-methoxy-1H-indole;ethane?
The InChIKey is HODZQHUUUYAAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO.C2H6/c1-12-6-2-3-9-7(4-6)8(10)5-11-9;1-2/h2-5,11H,1H3;1-2H3.
What are the key properties of 3-bromo-5-methoxy-1H-indole;ethane?
3-bromo-5-methoxy-1H-indole;ethane has a molecular weight of 256.14 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methoxy-1H-indole;ethane is sourced from PubChem (CID 145418707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).