1-(2,5,7-trichloro-1H-indol-3-yl)ethanol

C10H8Cl3NO — CID 82269510

IUPAC1-(2,5,7-trichloro-1H-indol-3-yl)ethanol
SMILESCC(O)c1c(Cl)[nH]c2c(Cl)cc(Cl)cc12
InChIInChI=1S/C10H8Cl3NO/c1-4(15)8-6-2-5(11)3-7(12)9(6)14-10(8)13/h2-4,14-15H,1H3
InChIKeyLWZDKSJLYQUTQS-UHFFFAOYSA-N
MW264.54 g/mol
LogP4.18
Rot. Bonds1

About 1-(2,5,7-trichloro-1H-indol-3-yl)ethanol

1-(2,5,7-trichloro-1H-indol-3-yl)ethanol (PubChem CID 82269510) has the molecular formula C10H8Cl3NO and a molecular weight of 264.54 g/mol. Its IUPAC name is 1-(2,5,7-trichloro-1H-indol-3-yl)ethanol.

Molecular Properties

Compound Name1-(2,5,7-trichloro-1H-indol-3-yl)ethanol
PubChem CID82269510
Molecular FormulaC10H8Cl3NO
Molecular Weight264.54 g/mol
Exact Mass262.97
IUPAC Name1-(2,5,7-trichloro-1H-indol-3-yl)ethanol
SMILESCC(O)c1c(Cl)[nH]c2c(Cl)cc(Cl)cc12
InChIInChI=1S/C10H8Cl3NO/c1-4(15)8-6-2-5(11)3-7(12)9(6)14-10(8)13/h2-4,14-15H,1H3
InChIKeyLWZDKSJLYQUTQS-UHFFFAOYSA-N
XLogP4.18
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.54
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5,7-trichloro-1H-indol-3-yl)ethanol?
The IUPAC name of 1-(2,5,7-trichloro-1H-indol-3-yl)ethanol (CID 82269510) is 1-(2,5,7-trichloro-1H-indol-3-yl)ethanol.
What is the SMILES notation for 1-(2,5,7-trichloro-1H-indol-3-yl)ethanol?
The canonical SMILES for 1-(2,5,7-trichloro-1H-indol-3-yl)ethanol is CC(O)c1c(Cl)[nH]c2c(Cl)cc(Cl)cc12.
What is the InChIKey of 1-(2,5,7-trichloro-1H-indol-3-yl)ethanol?
The InChIKey is LWZDKSJLYQUTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl3NO/c1-4(15)8-6-2-5(11)3-7(12)9(6)14-10(8)13/h2-4,14-15H,1H3.
What are the key properties of 1-(2,5,7-trichloro-1H-indol-3-yl)ethanol?
1-(2,5,7-trichloro-1H-indol-3-yl)ethanol has a molecular weight of 264.54 g/mol, XLogP of 4.18, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5,7-trichloro-1H-indol-3-yl)ethanol is sourced from PubChem (CID 82269510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).