1-(4-bromo-1-ethyl-2,3-dihydroindol-2-yl)ethanol

C12H16BrNO — CID 117198761

IUPAC1-(4-bromo-1-ethyl-2,3-dihydroindol-2-yl)ethanol
SMILESCCN1c2cccc(Br)c2CC1C(C)O
InChIInChI=1S/C12H16BrNO/c1-3-14-11-6-4-5-10(13)9(11)7-12(14)8(2)15/h4-6,8,12,15H,3,7H2,1-2H3
InChIKeyLDQIONQMFKJBJR-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.58
Rot. Bonds2

About 1-(4-bromo-1-ethyl-2,3-dihydroindol-2-yl)ethanol

1-(4-bromo-1-ethyl-2,3-dihydroindol-2-yl)ethanol (PubChem CID 117198761) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 1-(4-bromo-1-ethyl-2,3-dihydroindol-2-yl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-1-ethyl-2,3-dihydroindol-2-yl)ethanol
PubChem CID117198761
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name1-(4-bromo-1-ethyl-2,3-dihydroindol-2-yl)ethanol
SMILESCCN1c2cccc(Br)c2CC1C(C)O
InChIInChI=1S/C12H16BrNO/c1-3-14-11-6-4-5-10(13)9(11)7-12(14)8(2)15/h4-6,8,12,15H,3,7H2,1-2H3
InChIKeyLDQIONQMFKJBJR-UHFFFAOYSA-N
XLogP2.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethyl-2,3-dihydroindol-2-yl)ethanol?
The IUPAC name of 1-(4-bromo-1-ethyl-2,3-dihydroindol-2-yl)ethanol (CID 117198761) is 1-(4-bromo-1-ethyl-2,3-dihydroindol-2-yl)ethanol.
What is the SMILES notation for 1-(4-bromo-1-ethyl-2,3-dihydroindol-2-yl)ethanol?
The canonical SMILES for 1-(4-bromo-1-ethyl-2,3-dihydroindol-2-yl)ethanol is CCN1c2cccc(Br)c2CC1C(C)O.
What is the InChIKey of 1-(4-bromo-1-ethyl-2,3-dihydroindol-2-yl)ethanol?
The InChIKey is LDQIONQMFKJBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-3-14-11-6-4-5-10(13)9(11)7-12(14)8(2)15/h4-6,8,12,15H,3,7H2,1-2H3.
What are the key properties of 1-(4-bromo-1-ethyl-2,3-dihydroindol-2-yl)ethanol?
1-(4-bromo-1-ethyl-2,3-dihydroindol-2-yl)ethanol has a molecular weight of 270.17 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-ethyl-2,3-dihydroindol-2-yl)ethanol is sourced from PubChem (CID 117198761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).