2-[2-(6-chloroindol-1-yl)ethoxy]ethanol

C12H14ClNO2 — CID 116620626

IUPAC2-[2-(6-chloroindol-1-yl)ethoxy]ethanol
SMILESOCCOCCn1ccc2ccc(Cl)cc21
InChIInChI=1S/C12H14ClNO2/c13-11-2-1-10-3-4-14(12(10)9-11)5-7-16-8-6-15/h1-4,9,15H,5-8H2
InChIKeyORWLLCGZZLDXBD-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.30
Rot. Bonds5

About 2-[2-(6-chloroindol-1-yl)ethoxy]ethanol

2-[2-(6-chloroindol-1-yl)ethoxy]ethanol (PubChem CID 116620626) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 2-[2-(6-chloroindol-1-yl)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(6-chloroindol-1-yl)ethoxy]ethanol
PubChem CID116620626
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name2-[2-(6-chloroindol-1-yl)ethoxy]ethanol
SMILESOCCOCCn1ccc2ccc(Cl)cc21
InChIInChI=1S/C12H14ClNO2/c13-11-2-1-10-3-4-14(12(10)9-11)5-7-16-8-6-15/h1-4,9,15H,5-8H2
InChIKeyORWLLCGZZLDXBD-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

1-[2-(2-hydroxyethoxy)ethyl]indole-6-carboxylic acid
CID 63748417
6-chloro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole
CID 116620454
1-butyl-6-chloroindole
CID 67583801
2-[2-(7-chloroindol-1-yl)ethoxy]ethanol
CID 103474789
6-chloro-1-[2-(2-methoxyphenoxy)ethyl]indole
CID 116620601
1-(4-bromobutyl)-6-chloroindole
CID 135074562
5-(6-chloroindol-1-yl)pentanamide
CID 114281787
6-chloro-1-(2-pyrrolidin-1-ylethyl)indole
CID 116620684
5-(6-chloroindol-1-yl)pentan-2-one
CID 62023769
2-[2-[5-(aminomethyl)indol-1-yl]ethoxy]ethanol
CID 102915452
N-[2-(6-chloroindol-1-yl)ethyl]-1-methoxypropan-2-amine
CID 62562539
(2S)-1-(6-chloroindol-1-yl)propan-2-ol
CID 70160052

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-chloroindol-1-yl)ethoxy]ethanol?
The IUPAC name of 2-[2-(6-chloroindol-1-yl)ethoxy]ethanol (CID 116620626) is 2-[2-(6-chloroindol-1-yl)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(6-chloroindol-1-yl)ethoxy]ethanol?
The canonical SMILES for 2-[2-(6-chloroindol-1-yl)ethoxy]ethanol is OCCOCCn1ccc2ccc(Cl)cc21.
What is the InChIKey of 2-[2-(6-chloroindol-1-yl)ethoxy]ethanol?
The InChIKey is ORWLLCGZZLDXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c13-11-2-1-10-3-4-14(12(10)9-11)5-7-16-8-6-15/h1-4,9,15H,5-8H2.
What are the key properties of 2-[2-(6-chloroindol-1-yl)ethoxy]ethanol?
2-[2-(6-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-(6-chloroindol-1-yl)ethoxy]ethanol is sourced from PubChem (CID 116620626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).