2-[2-(7-chloroindol-1-yl)ethoxy]ethanol

C12H14ClNO2 — CID 103474789

IUPAC2-[2-(7-chloroindol-1-yl)ethoxy]ethanol
SMILESOCCOCCn1ccc2cccc(Cl)c21
InChIInChI=1S/C12H14ClNO2/c13-11-3-1-2-10-4-5-14(12(10)11)6-8-16-9-7-15/h1-5,15H,6-9H2
InChIKeyVTCRKNQJZMWFRT-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.30
Rot. Bonds5

About 2-[2-(7-chloroindol-1-yl)ethoxy]ethanol

2-[2-(7-chloroindol-1-yl)ethoxy]ethanol (PubChem CID 103474789) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 2-[2-(7-chloroindol-1-yl)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(7-chloroindol-1-yl)ethoxy]ethanol
PubChem CID103474789
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name2-[2-(7-chloroindol-1-yl)ethoxy]ethanol
SMILESOCCOCCn1ccc2cccc(Cl)c21
InChIInChI=1S/C12H14ClNO2/c13-11-3-1-2-10-4-5-14(12(10)11)6-8-16-9-7-15/h1-5,15H,6-9H2
InChIKeyVTCRKNQJZMWFRT-UHFFFAOYSA-N
XLogP2.30
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-chloro-1-(2-methoxyethyl)indole
CID 103474736
2-[2-[7-(propylaminomethyl)indol-1-yl]ethoxy]ethanol
CID 102914261
7-chloro-1-(4-methoxybutyl)indole
CID 103475434
2-[2-(6-chloroindol-1-yl)ethoxy]ethanol
CID 116620626
7-chloro-1-(ethoxymethyl)indole
CID 103474866
7-chloro-1-(2-pyrrolidin-1-ylethyl)indole
CID 103475316
7-chloro-1-decylindole
CID 103474775
2-(7-chloroindol-1-yl)-N,N-diethylethanamine
CID 103475461
2-(7-chloroindol-1-yl)-N-ethylethanamine
CID 103474607
tert-butyl 3-(7-chloroindol-1-yl)propanoate
CID 103474201
6-(7-chloroindol-1-yl)hexan-3-one
CID 106801891
7-chloro-1-(3-methylbut-2-enyl)indole
CID 103474747

Frequently Asked Questions

What is the IUPAC name of 2-[2-(7-chloroindol-1-yl)ethoxy]ethanol?
The IUPAC name of 2-[2-(7-chloroindol-1-yl)ethoxy]ethanol (CID 103474789) is 2-[2-(7-chloroindol-1-yl)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(7-chloroindol-1-yl)ethoxy]ethanol?
The canonical SMILES for 2-[2-(7-chloroindol-1-yl)ethoxy]ethanol is OCCOCCn1ccc2cccc(Cl)c21.
What is the InChIKey of 2-[2-(7-chloroindol-1-yl)ethoxy]ethanol?
The InChIKey is VTCRKNQJZMWFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c13-11-3-1-2-10-4-5-14(12(10)11)6-8-16-9-7-15/h1-5,15H,6-9H2.
What are the key properties of 2-[2-(7-chloroindol-1-yl)ethoxy]ethanol?
2-[2-(7-chloroindol-1-yl)ethoxy]ethanol has a molecular weight of 239.70 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(7-chloroindol-1-yl)ethoxy]ethanol is sourced from PubChem (CID 103474789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).