5-tert-butyl-6-chloro-1H-indene

C13H15Cl — CID 58201794

IUPAC5-tert-butyl-6-chloro-1H-indene
SMILESCC(C)(C)c1cc2c(cc1Cl)CC=C2
InChIInChI=1S/C13H15Cl/c1-13(2,3)11-7-9-5-4-6-10(9)8-12(11)14/h4-5,7-8H,6H2,1-3H3
InChIKeyYZQPQJUMPUAMCP-UHFFFAOYSA-N
MW206.72 g/mol
LogP4.21
Rot. Bonds

About 5-tert-butyl-6-chloro-1H-indene

5-tert-butyl-6-chloro-1H-indene (PubChem CID 58201794) has the molecular formula C13H15Cl and a molecular weight of 206.72 g/mol. Its IUPAC name is 5-tert-butyl-6-chloro-1H-indene.

Molecular Properties

Compound Name5-tert-butyl-6-chloro-1H-indene
PubChem CID58201794
Molecular FormulaC13H15Cl
Molecular Weight206.72 g/mol
Exact Mass206.09
IUPAC Name5-tert-butyl-6-chloro-1H-indene
SMILESCC(C)(C)c1cc2c(cc1Cl)CC=C2
InChIInChI=1S/C13H15Cl/c1-13(2,3)11-7-9-5-4-6-10(9)8-12(11)14/h4-5,7-8H,6H2,1-3H3
InChIKeyYZQPQJUMPUAMCP-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.72
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-6-chloro-1H-indene?
The IUPAC name of 5-tert-butyl-6-chloro-1H-indene (CID 58201794) is 5-tert-butyl-6-chloro-1H-indene.
What is the SMILES notation for 5-tert-butyl-6-chloro-1H-indene?
The canonical SMILES for 5-tert-butyl-6-chloro-1H-indene is CC(C)(C)c1cc2c(cc1Cl)CC=C2.
What is the InChIKey of 5-tert-butyl-6-chloro-1H-indene?
The InChIKey is YZQPQJUMPUAMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl/c1-13(2,3)11-7-9-5-4-6-10(9)8-12(11)14/h4-5,7-8H,6H2,1-3H3.
What are the key properties of 5-tert-butyl-6-chloro-1H-indene?
5-tert-butyl-6-chloro-1H-indene has a molecular weight of 206.72 g/mol, XLogP of 4.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-6-chloro-1H-indene is sourced from PubChem (CID 58201794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).