2-(4-bromoindol-1-yl)ethanol

C10H10BrNO — CID 66827454

IUPAC2-(4-bromoindol-1-yl)ethanol
SMILESOCCn1ccc2c(Br)cccc21
InChIInChI=1S/C10H10BrNO/c11-9-2-1-3-10-8(9)4-5-12(10)6-7-13/h1-5,13H,6-7H2
InChIKeyTZVGZDIODXOVHR-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.40
Rot. Bonds2

About 2-(4-bromoindol-1-yl)ethanol

2-(4-bromoindol-1-yl)ethanol (PubChem CID 66827454) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is 2-(4-bromoindol-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromoindol-1-yl)ethanol
PubChem CID66827454
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name2-(4-bromoindol-1-yl)ethanol
SMILESOCCn1ccc2c(Br)cccc21
InChIInChI=1S/C10H10BrNO/c11-9-2-1-3-10-8(9)4-5-12(10)6-7-13/h1-5,13H,6-7H2
InChIKeyTZVGZDIODXOVHR-UHFFFAOYSA-N
XLogP2.40
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoindol-1-yl)ethanol?
The IUPAC name of 2-(4-bromoindol-1-yl)ethanol (CID 66827454) is 2-(4-bromoindol-1-yl)ethanol.
What is the SMILES notation for 2-(4-bromoindol-1-yl)ethanol?
The canonical SMILES for 2-(4-bromoindol-1-yl)ethanol is OCCn1ccc2c(Br)cccc21.
What is the InChIKey of 2-(4-bromoindol-1-yl)ethanol?
The InChIKey is TZVGZDIODXOVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c11-9-2-1-3-10-8(9)4-5-12(10)6-7-13/h1-5,13H,6-7H2.
What are the key properties of 2-(4-bromoindol-1-yl)ethanol?
2-(4-bromoindol-1-yl)ethanol has a molecular weight of 240.10 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoindol-1-yl)ethanol is sourced from PubChem (CID 66827454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).