2-(5-bromo-1,3-dihydroisoindol-2-yl)ethanol

C10H12BrNO — CID 82164047

IUPAC2-(5-bromo-1,3-dihydroisoindol-2-yl)ethanol
SMILESOCCN1Cc2ccc(Br)cc2C1
InChIInChI=1S/C10H12BrNO/c11-10-2-1-8-6-12(3-4-13)7-9(8)5-10/h1-2,5,13H,3-4,6-7H2
InChIKeyFXBWBIXOHYXAGX-UHFFFAOYSA-N
MW242.12 g/mol
LogP1.76
Rot. Bonds2

About 2-(5-bromo-1,3-dihydroisoindol-2-yl)ethanol

2-(5-bromo-1,3-dihydroisoindol-2-yl)ethanol (PubChem CID 82164047) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 2-(5-bromo-1,3-dihydroisoindol-2-yl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-1,3-dihydroisoindol-2-yl)ethanol
PubChem CID82164047
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name2-(5-bromo-1,3-dihydroisoindol-2-yl)ethanol
SMILESOCCN1Cc2ccc(Br)cc2C1
InChIInChI=1S/C10H12BrNO/c11-10-2-1-8-6-12(3-4-13)7-9(8)5-10/h1-2,5,13H,3-4,6-7H2
InChIKeyFXBWBIXOHYXAGX-UHFFFAOYSA-N
XLogP1.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1,3-dihydroisoindol-2-yl)ethanol?
The IUPAC name of 2-(5-bromo-1,3-dihydroisoindol-2-yl)ethanol (CID 82164047) is 2-(5-bromo-1,3-dihydroisoindol-2-yl)ethanol.
What is the SMILES notation for 2-(5-bromo-1,3-dihydroisoindol-2-yl)ethanol?
The canonical SMILES for 2-(5-bromo-1,3-dihydroisoindol-2-yl)ethanol is OCCN1Cc2ccc(Br)cc2C1.
What is the InChIKey of 2-(5-bromo-1,3-dihydroisoindol-2-yl)ethanol?
The InChIKey is FXBWBIXOHYXAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c11-10-2-1-8-6-12(3-4-13)7-9(8)5-10/h1-2,5,13H,3-4,6-7H2.
What are the key properties of 2-(5-bromo-1,3-dihydroisoindol-2-yl)ethanol?
2-(5-bromo-1,3-dihydroisoindol-2-yl)ethanol has a molecular weight of 242.12 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1,3-dihydroisoindol-2-yl)ethanol is sourced from PubChem (CID 82164047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).