1-(2,6-dichloro-1H-indol-3-yl)ethanol

C10H9Cl2NO — CID 82269694

IUPAC1-(2,6-dichloro-1H-indol-3-yl)ethanol
SMILESCC(O)c1c(Cl)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C10H9Cl2NO/c1-5(14)9-7-3-2-6(11)4-8(7)13-10(9)12/h2-5,13-14H,1H3
InChIKeyAOAUOIUGOQAQMJ-UHFFFAOYSA-N
MW230.09 g/mol
LogP3.53
Rot. Bonds1

About 1-(2,6-dichloro-1H-indol-3-yl)ethanol

1-(2,6-dichloro-1H-indol-3-yl)ethanol (PubChem CID 82269694) has the molecular formula C10H9Cl2NO and a molecular weight of 230.09 g/mol. Its IUPAC name is 1-(2,6-dichloro-1H-indol-3-yl)ethanol.

Molecular Properties

Compound Name1-(2,6-dichloro-1H-indol-3-yl)ethanol
PubChem CID82269694
Molecular FormulaC10H9Cl2NO
Molecular Weight230.09 g/mol
Exact Mass229.01
IUPAC Name1-(2,6-dichloro-1H-indol-3-yl)ethanol
SMILESCC(O)c1c(Cl)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C10H9Cl2NO/c1-5(14)9-7-3-2-6(11)4-8(7)13-10(9)12/h2-5,13-14H,1H3
InChIKeyAOAUOIUGOQAQMJ-UHFFFAOYSA-N
XLogP3.53
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5,7-trichloro-1H-indol-3-yl)ethanol
CID 82269510
2-(6-chloro-2-methyl-1H-indol-3-yl)-3-methylbutan-1-amine
CID 82499289
7-chloro-3-propan-2-yl-1H-quinazoline-2,4-dione
CID 117261622
1-(5-chloro-1H-indol-3-yl)ethanol
CID 117195568
2-bromo-6-chloro-3-methyl-1H-indole
CID 84631725
(2S)-2-(6-chloro-9H-carbazol-2-yl)propanoate
CID 6919166
(2S)-2-(6-chloro-9H-carbazol-2-yl)propanamide
CID 71483149
7-chloro-3-hydroxy-2-methyl-1H-quinolin-4-one
CID 70376894
7-chloro-1,2,3,4-tetradeuterio-9H-carbazole
CID 170651952
7-chloro-9H-pyrido[3,4-b]indole
CID 22185281
6-chloro-2-(6-chloro-3-oxido-1H-indol-2-yl)-1H-indol-3-olate
CID 101005801
2-(6-chloro-9H-carbazol-2-yl)propyl hypoiodite
CID 70822041

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloro-1H-indol-3-yl)ethanol?
The IUPAC name of 1-(2,6-dichloro-1H-indol-3-yl)ethanol (CID 82269694) is 1-(2,6-dichloro-1H-indol-3-yl)ethanol.
What is the SMILES notation for 1-(2,6-dichloro-1H-indol-3-yl)ethanol?
The canonical SMILES for 1-(2,6-dichloro-1H-indol-3-yl)ethanol is CC(O)c1c(Cl)[nH]c2cc(Cl)ccc12.
What is the InChIKey of 1-(2,6-dichloro-1H-indol-3-yl)ethanol?
The InChIKey is AOAUOIUGOQAQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO/c1-5(14)9-7-3-2-6(11)4-8(7)13-10(9)12/h2-5,13-14H,1H3.
What are the key properties of 1-(2,6-dichloro-1H-indol-3-yl)ethanol?
1-(2,6-dichloro-1H-indol-3-yl)ethanol has a molecular weight of 230.09 g/mol, XLogP of 3.53, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloro-1H-indol-3-yl)ethanol is sourced from PubChem (CID 82269694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).