5-chloro-3-(oxolan-3-yl)-1H-indole

C12H12ClNO — CID 146673557

IUPAC5-chloro-3-(oxolan-3-yl)-1H-indole
SMILESClc1ccc2[nH]cc(C3CCOC3)c2c1
InChIInChI=1S/C12H12ClNO/c13-9-1-2-12-10(5-9)11(6-14-12)8-3-4-15-7-8/h1-2,5-6,8,14H,3-4,7H2
InChIKeyGUTNPYQPWZDFDQ-UHFFFAOYSA-N
MW221.69 g/mol
LogP3.33
Rot. Bonds1

About 5-chloro-3-(oxolan-3-yl)-1H-indole

5-chloro-3-(oxolan-3-yl)-1H-indole (PubChem CID 146673557) has the molecular formula C12H12ClNO and a molecular weight of 221.69 g/mol. Its IUPAC name is 5-chloro-3-(oxolan-3-yl)-1H-indole.

Molecular Properties

Compound Name5-chloro-3-(oxolan-3-yl)-1H-indole
PubChem CID146673557
Molecular FormulaC12H12ClNO
Molecular Weight221.69 g/mol
Exact Mass221.06
IUPAC Name5-chloro-3-(oxolan-3-yl)-1H-indole
SMILESClc1ccc2[nH]cc(C3CCOC3)c2c1
InChIInChI=1S/C12H12ClNO/c13-9-1-2-12-10(5-9)11(6-14-12)8-3-4-15-7-8/h1-2,5-6,8,14H,3-4,7H2
InChIKeyGUTNPYQPWZDFDQ-UHFFFAOYSA-N
XLogP3.33
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(oxolan-3-yl)-1H-indole?
The IUPAC name of 5-chloro-3-(oxolan-3-yl)-1H-indole (CID 146673557) is 5-chloro-3-(oxolan-3-yl)-1H-indole.
What is the SMILES notation for 5-chloro-3-(oxolan-3-yl)-1H-indole?
The canonical SMILES for 5-chloro-3-(oxolan-3-yl)-1H-indole is Clc1ccc2[nH]cc(C3CCOC3)c2c1.
What is the InChIKey of 5-chloro-3-(oxolan-3-yl)-1H-indole?
The InChIKey is GUTNPYQPWZDFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO/c13-9-1-2-12-10(5-9)11(6-14-12)8-3-4-15-7-8/h1-2,5-6,8,14H,3-4,7H2.
What are the key properties of 5-chloro-3-(oxolan-3-yl)-1H-indole?
5-chloro-3-(oxolan-3-yl)-1H-indole has a molecular weight of 221.69 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(oxolan-3-yl)-1H-indole is sourced from PubChem (CID 146673557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).