2-(6-bromo-2,3-dihydro-1H-inden-4-yl)ethanol

C11H13BrO — CID 117354297

IUPAC2-(6-bromo-2,3-dihydro-1H-inden-4-yl)ethanol
SMILESOCCc1cc(Br)cc2c1CCC2
InChIInChI=1S/C11H13BrO/c12-10-6-8-2-1-3-11(8)9(7-10)4-5-13/h6-7,13H,1-5H2
InChIKeyUJLSPEMXTMYOEN-UHFFFAOYSA-N
MW241.13 g/mol
LogP2.47
Rot. Bonds2

About 2-(6-bromo-2,3-dihydro-1H-inden-4-yl)ethanol

2-(6-bromo-2,3-dihydro-1H-inden-4-yl)ethanol (PubChem CID 117354297) has the molecular formula C11H13BrO and a molecular weight of 241.13 g/mol. Its IUPAC name is 2-(6-bromo-2,3-dihydro-1H-inden-4-yl)ethanol.

Molecular Properties

Compound Name2-(6-bromo-2,3-dihydro-1H-inden-4-yl)ethanol
PubChem CID117354297
Molecular FormulaC11H13BrO
Molecular Weight241.13 g/mol
Exact Mass240.01
IUPAC Name2-(6-bromo-2,3-dihydro-1H-inden-4-yl)ethanol
SMILESOCCc1cc(Br)cc2c1CCC2
InChIInChI=1S/C11H13BrO/c12-10-6-8-2-1-3-11(8)9(7-10)4-5-13/h6-7,13H,1-5H2
InChIKeyUJLSPEMXTMYOEN-UHFFFAOYSA-N
XLogP2.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2,3-dihydro-1H-inden-4-yl)ethanol?
The IUPAC name of 2-(6-bromo-2,3-dihydro-1H-inden-4-yl)ethanol (CID 117354297) is 2-(6-bromo-2,3-dihydro-1H-inden-4-yl)ethanol.
What is the SMILES notation for 2-(6-bromo-2,3-dihydro-1H-inden-4-yl)ethanol?
The canonical SMILES for 2-(6-bromo-2,3-dihydro-1H-inden-4-yl)ethanol is OCCc1cc(Br)cc2c1CCC2.
What is the InChIKey of 2-(6-bromo-2,3-dihydro-1H-inden-4-yl)ethanol?
The InChIKey is UJLSPEMXTMYOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO/c12-10-6-8-2-1-3-11(8)9(7-10)4-5-13/h6-7,13H,1-5H2.
What are the key properties of 2-(6-bromo-2,3-dihydro-1H-inden-4-yl)ethanol?
2-(6-bromo-2,3-dihydro-1H-inden-4-yl)ethanol has a molecular weight of 241.13 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2,3-dihydro-1H-inden-4-yl)ethanol is sourced from PubChem (CID 117354297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).