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

C12H16ClNO — CID 117200061

IUPAC1-(4-chloro-1-ethyl-2,3-dihydroindol-3-yl)ethanol
SMILESCCN1CC(C(C)O)c2c(Cl)cccc21
InChIInChI=1S/C12H16ClNO/c1-3-14-7-9(8(2)15)12-10(13)5-4-6-11(12)14/h4-6,8-9,15H,3,7H2,1-2H3
InChIKeyRTHKZNROTOZTRI-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.64
Rot. Bonds2

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

1-(4-chloro-1-ethyl-2,3-dihydroindol-3-yl)ethanol (PubChem CID 117200061) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 1-(4-chloro-1-ethyl-2,3-dihydroindol-3-yl)ethanol.

Molecular Properties

Compound Name1-(4-chloro-1-ethyl-2,3-dihydroindol-3-yl)ethanol
PubChem CID117200061
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name1-(4-chloro-1-ethyl-2,3-dihydroindol-3-yl)ethanol
SMILESCCN1CC(C(C)O)c2c(Cl)cccc21
InChIInChI=1S/C12H16ClNO/c1-3-14-7-9(8(2)15)12-10(13)5-4-6-11(12)14/h4-6,8-9,15H,3,7H2,1-2H3
InChIKeyRTHKZNROTOZTRI-UHFFFAOYSA-N
XLogP2.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-ethyl-2,3-dihydroindol-3-yl)ethanol?
The IUPAC name of 1-(4-chloro-1-ethyl-2,3-dihydroindol-3-yl)ethanol (CID 117200061) is 1-(4-chloro-1-ethyl-2,3-dihydroindol-3-yl)ethanol.
What is the SMILES notation for 1-(4-chloro-1-ethyl-2,3-dihydroindol-3-yl)ethanol?
The canonical SMILES for 1-(4-chloro-1-ethyl-2,3-dihydroindol-3-yl)ethanol is CCN1CC(C(C)O)c2c(Cl)cccc21.
What is the InChIKey of 1-(4-chloro-1-ethyl-2,3-dihydroindol-3-yl)ethanol?
The InChIKey is RTHKZNROTOZTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-3-14-7-9(8(2)15)12-10(13)5-4-6-11(12)14/h4-6,8-9,15H,3,7H2,1-2H3.
What are the key properties of 1-(4-chloro-1-ethyl-2,3-dihydroindol-3-yl)ethanol?
1-(4-chloro-1-ethyl-2,3-dihydroindol-3-yl)ethanol has a molecular weight of 225.72 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-ethyl-2,3-dihydroindol-3-yl)ethanol is sourced from PubChem (CID 117200061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).