2-(4,6-dichloro-1H-indol-3-yl)ethanol

C10H9Cl2NO — CID 21099158

IUPAC2-(4,6-dichloro-1H-indol-3-yl)ethanol
SMILESOCCc1c[nH]c2cc(Cl)cc(Cl)c12
InChIInChI=1S/C10H9Cl2NO/c11-7-3-8(12)10-6(1-2-14)5-13-9(10)4-7/h3-5,13-14H,1-2H2
InChIKeyANGOPJCHAODNJP-UHFFFAOYSA-N
MW230.09 g/mol
LogP3.01
Rot. Bonds2

About 2-(4,6-dichloro-1H-indol-3-yl)ethanol

2-(4,6-dichloro-1H-indol-3-yl)ethanol (PubChem CID 21099158) has the molecular formula C10H9Cl2NO and a molecular weight of 230.09 g/mol. Its IUPAC name is 2-(4,6-dichloro-1H-indol-3-yl)ethanol.

Molecular Properties

Compound Name2-(4,6-dichloro-1H-indol-3-yl)ethanol
PubChem CID21099158
Molecular FormulaC10H9Cl2NO
Molecular Weight230.09 g/mol
Exact Mass229.01
IUPAC Name2-(4,6-dichloro-1H-indol-3-yl)ethanol
SMILESOCCc1c[nH]c2cc(Cl)cc(Cl)c12
InChIInChI=1S/C10H9Cl2NO/c11-7-3-8(12)10-6(1-2-14)5-13-9(10)4-7/h3-5,13-14H,1-2H2
InChIKeyANGOPJCHAODNJP-UHFFFAOYSA-N
XLogP3.01
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dichloro-1H-indol-3-yl)ethanol?
The IUPAC name of 2-(4,6-dichloro-1H-indol-3-yl)ethanol (CID 21099158) is 2-(4,6-dichloro-1H-indol-3-yl)ethanol.
What is the SMILES notation for 2-(4,6-dichloro-1H-indol-3-yl)ethanol?
The canonical SMILES for 2-(4,6-dichloro-1H-indol-3-yl)ethanol is OCCc1c[nH]c2cc(Cl)cc(Cl)c12.
What is the InChIKey of 2-(4,6-dichloro-1H-indol-3-yl)ethanol?
The InChIKey is ANGOPJCHAODNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO/c11-7-3-8(12)10-6(1-2-14)5-13-9(10)4-7/h3-5,13-14H,1-2H2.
What are the key properties of 2-(4,6-dichloro-1H-indol-3-yl)ethanol?
2-(4,6-dichloro-1H-indol-3-yl)ethanol has a molecular weight of 230.09 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dichloro-1H-indol-3-yl)ethanol is sourced from PubChem (CID 21099158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).