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

C10H12ClNO — CID 117199882

IUPAC2-(4-chloro-2,3-dihydro-1H-indol-3-yl)ethanol
SMILESOCCC1CNc2cccc(Cl)c21
InChIInChI=1S/C10H12ClNO/c11-8-2-1-3-9-10(8)7(4-5-13)6-12-9/h1-3,7,12-13H,4-6H2
InChIKeyQWFSHDJXDAVJLM-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.23
Rot. Bonds2

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

2-(4-chloro-2,3-dihydro-1H-indol-3-yl)ethanol (PubChem CID 117199882) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 2-(4-chloro-2,3-dihydro-1H-indol-3-yl)ethanol.

Molecular Properties

Compound Name2-(4-chloro-2,3-dihydro-1H-indol-3-yl)ethanol
PubChem CID117199882
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name2-(4-chloro-2,3-dihydro-1H-indol-3-yl)ethanol
SMILESOCCC1CNc2cccc(Cl)c21
InChIInChI=1S/C10H12ClNO/c11-8-2-1-3-9-10(8)7(4-5-13)6-12-9/h1-3,7,12-13H,4-6H2
InChIKeyQWFSHDJXDAVJLM-UHFFFAOYSA-N
XLogP2.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,3-dihydro-1H-indol-3-yl)ethanol?
The IUPAC name of 2-(4-chloro-2,3-dihydro-1H-indol-3-yl)ethanol (CID 117199882) is 2-(4-chloro-2,3-dihydro-1H-indol-3-yl)ethanol.
What is the SMILES notation for 2-(4-chloro-2,3-dihydro-1H-indol-3-yl)ethanol?
The canonical SMILES for 2-(4-chloro-2,3-dihydro-1H-indol-3-yl)ethanol is OCCC1CNc2cccc(Cl)c21.
What is the InChIKey of 2-(4-chloro-2,3-dihydro-1H-indol-3-yl)ethanol?
The InChIKey is QWFSHDJXDAVJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c11-8-2-1-3-9-10(8)7(4-5-13)6-12-9/h1-3,7,12-13H,4-6H2.
What are the key properties of 2-(4-chloro-2,3-dihydro-1H-indol-3-yl)ethanol?
2-(4-chloro-2,3-dihydro-1H-indol-3-yl)ethanol has a molecular weight of 197.66 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,3-dihydro-1H-indol-3-yl)ethanol is sourced from PubChem (CID 117199882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).