2-tert-butyl-4-chloro-1H-indole

C12H14ClN — CID 84675744

IUPAC2-tert-butyl-4-chloro-1H-indole
SMILESCC(C)(C)c1cc2c(Cl)cccc2[nH]1
InChIInChI=1S/C12H14ClN/c1-12(2,3)11-7-8-9(13)5-4-6-10(8)14-11/h4-7,14H,1-3H3
InChIKeyHNYIEFWOZKZPPG-UHFFFAOYSA-N
MW207.70 g/mol
LogP4.12
Rot. Bonds

About 2-tert-butyl-4-chloro-1H-indole

2-tert-butyl-4-chloro-1H-indole (PubChem CID 84675744) has the molecular formula C12H14ClN and a molecular weight of 207.70 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-1H-indole.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-1H-indole
PubChem CID84675744
Molecular FormulaC12H14ClN
Molecular Weight207.70 g/mol
Exact Mass207.08
IUPAC Name2-tert-butyl-4-chloro-1H-indole
SMILESCC(C)(C)c1cc2c(Cl)cccc2[nH]1
InChIInChI=1S/C12H14ClN/c1-12(2,3)11-7-8-9(13)5-4-6-10(8)14-11/h4-7,14H,1-3H3
InChIKeyHNYIEFWOZKZPPG-UHFFFAOYSA-N
XLogP4.12
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-1H-indole?
The IUPAC name of 2-tert-butyl-4-chloro-1H-indole (CID 84675744) is 2-tert-butyl-4-chloro-1H-indole.
What is the SMILES notation for 2-tert-butyl-4-chloro-1H-indole?
The canonical SMILES for 2-tert-butyl-4-chloro-1H-indole is CC(C)(C)c1cc2c(Cl)cccc2[nH]1.
What is the InChIKey of 2-tert-butyl-4-chloro-1H-indole?
The InChIKey is HNYIEFWOZKZPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN/c1-12(2,3)11-7-8-9(13)5-4-6-10(8)14-11/h4-7,14H,1-3H3.
What are the key properties of 2-tert-butyl-4-chloro-1H-indole?
2-tert-butyl-4-chloro-1H-indole has a molecular weight of 207.70 g/mol, XLogP of 4.12, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-1H-indole is sourced from PubChem (CID 84675744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).