2-(3-bromo-1-methylindol-7-yl)ethanol

C11H12BrNO — CID 117388124

IUPAC2-(3-bromo-1-methylindol-7-yl)ethanol
SMILESCn1cc(Br)c2cccc(CCO)c21
InChIInChI=1S/C11H12BrNO/c1-13-7-10(12)9-4-2-3-8(5-6-14)11(9)13/h2-4,7,14H,5-6H2,1H3
InChIKeyILCWPRZVWAIVPO-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.48
Rot. Bonds2

About 2-(3-bromo-1-methylindol-7-yl)ethanol

2-(3-bromo-1-methylindol-7-yl)ethanol (PubChem CID 117388124) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is 2-(3-bromo-1-methylindol-7-yl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-1-methylindol-7-yl)ethanol
PubChem CID117388124
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name2-(3-bromo-1-methylindol-7-yl)ethanol
SMILESCn1cc(Br)c2cccc(CCO)c21
InChIInChI=1S/C11H12BrNO/c1-13-7-10(12)9-4-2-3-8(5-6-14)11(9)13/h2-4,7,14H,5-6H2,1H3
InChIKeyILCWPRZVWAIVPO-UHFFFAOYSA-N
XLogP2.48
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-1-methylindol-7-yl)ethanamine
CID 83900729
3-(3-chloro-1-methylindol-7-yl)propan-1-ol
CID 117321059
2-(7-bromo-1-propan-2-ylindol-3-yl)ethanol
CID 117197647
3-bromo-7-fluoro-1-methylindole
CID 154562151
2-bromo-6-(2-hydroxyethyl)phenol
CID 57283538
2-(3-methyl-1-propan-2-ylindol-7-yl)ethanol
CID 117205237
3-(3-bromo-1-methylindazol-7-yl)propan-1-ol
CID 117425853
ethane;2-naphthalen-1-ylethanol
CID 145119048
1-(7-bromo-1-methylindol-3-yl)propan-2-ol
CID 83675918
2-(2-hydroxyethyl)-6-(hydroxymethyl)phenol
CID 117276602
2-(3-bromo-2-fluorophenyl)ethanol
CID 59290439
2-(7-ethyl-1-methylindol-3-yl)acetamide
CID 82493072

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-1-methylindol-7-yl)ethanol?
The IUPAC name of 2-(3-bromo-1-methylindol-7-yl)ethanol (CID 117388124) is 2-(3-bromo-1-methylindol-7-yl)ethanol.
What is the SMILES notation for 2-(3-bromo-1-methylindol-7-yl)ethanol?
The canonical SMILES for 2-(3-bromo-1-methylindol-7-yl)ethanol is Cn1cc(Br)c2cccc(CCO)c21.
What is the InChIKey of 2-(3-bromo-1-methylindol-7-yl)ethanol?
The InChIKey is ILCWPRZVWAIVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c1-13-7-10(12)9-4-2-3-8(5-6-14)11(9)13/h2-4,7,14H,5-6H2,1H3.
What are the key properties of 2-(3-bromo-1-methylindol-7-yl)ethanol?
2-(3-bromo-1-methylindol-7-yl)ethanol has a molecular weight of 254.13 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-1-methylindol-7-yl)ethanol is sourced from PubChem (CID 117388124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).