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

C10H12BrNO — CID 117199921

IUPAC1-(4-bromo-2,3-dihydro-1H-indol-3-yl)ethanol
SMILESCC(O)C1CNc2cccc(Br)c21
InChIInChI=1S/C10H12BrNO/c1-6(13)7-5-12-9-4-2-3-8(11)10(7)9/h2-4,6-7,12-13H,5H2,1H3
InChIKeyBHVLHESILSFTDH-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.34
Rot. Bonds1

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

1-(4-bromo-2,3-dihydro-1H-indol-3-yl)ethanol (PubChem CID 117199921) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 1-(4-bromo-2,3-dihydro-1H-indol-3-yl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-2,3-dihydro-1H-indol-3-yl)ethanol
PubChem CID117199921
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name1-(4-bromo-2,3-dihydro-1H-indol-3-yl)ethanol
SMILESCC(O)C1CNc2cccc(Br)c21
InChIInChI=1S/C10H12BrNO/c1-6(13)7-5-12-9-4-2-3-8(11)10(7)9/h2-4,6-7,12-13H,5H2,1H3
InChIKeyBHVLHESILSFTDH-UHFFFAOYSA-N
XLogP2.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,3-dihydro-1H-indol-3-yl)ethanol?
The IUPAC name of 1-(4-bromo-2,3-dihydro-1H-indol-3-yl)ethanol (CID 117199921) is 1-(4-bromo-2,3-dihydro-1H-indol-3-yl)ethanol.
What is the SMILES notation for 1-(4-bromo-2,3-dihydro-1H-indol-3-yl)ethanol?
The canonical SMILES for 1-(4-bromo-2,3-dihydro-1H-indol-3-yl)ethanol is CC(O)C1CNc2cccc(Br)c21.
What is the InChIKey of 1-(4-bromo-2,3-dihydro-1H-indol-3-yl)ethanol?
The InChIKey is BHVLHESILSFTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-6(13)7-5-12-9-4-2-3-8(11)10(7)9/h2-4,6-7,12-13H,5H2,1H3.
What are the key properties of 1-(4-bromo-2,3-dihydro-1H-indol-3-yl)ethanol?
1-(4-bromo-2,3-dihydro-1H-indol-3-yl)ethanol has a molecular weight of 242.12 g/mol, XLogP of 2.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,3-dihydro-1H-indol-3-yl)ethanol is sourced from PubChem (CID 117199921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).