1-butyl-6-chloro-1H-indene

C13H15Cl — CID 174468161

IUPAC1-butyl-6-chloro-1H-indene
SMILESCCCCC1C=Cc2ccc(Cl)cc21
InChIInChI=1S/C13H15Cl/c1-2-3-4-10-5-6-11-7-8-12(14)9-13(10)11/h5-10H,2-4H2,1H3
InChIKeyHJUNTTIWMUVQBN-UHFFFAOYSA-N
MW206.72 g/mol
LogP4.64
Rot. Bonds3

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

1-butyl-6-chloro-1H-indene (PubChem CID 174468161) has the molecular formula C13H15Cl and a molecular weight of 206.72 g/mol. Its IUPAC name is 1-butyl-6-chloro-1H-indene.

Molecular Properties

Compound Name1-butyl-6-chloro-1H-indene
PubChem CID174468161
Molecular FormulaC13H15Cl
Molecular Weight206.72 g/mol
Exact Mass206.09
IUPAC Name1-butyl-6-chloro-1H-indene
SMILESCCCCC1C=Cc2ccc(Cl)cc21
InChIInChI=1S/C13H15Cl/c1-2-3-4-10-5-6-11-7-8-12(14)9-13(10)11/h5-10H,2-4H2,1H3
InChIKeyHJUNTTIWMUVQBN-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.72
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-chloro-1H-indene?
The IUPAC name of 1-butyl-6-chloro-1H-indene (CID 174468161) is 1-butyl-6-chloro-1H-indene.
What is the SMILES notation for 1-butyl-6-chloro-1H-indene?
The canonical SMILES for 1-butyl-6-chloro-1H-indene is CCCCC1C=Cc2ccc(Cl)cc21.
What is the InChIKey of 1-butyl-6-chloro-1H-indene?
The InChIKey is HJUNTTIWMUVQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl/c1-2-3-4-10-5-6-11-7-8-12(14)9-13(10)11/h5-10H,2-4H2,1H3.
What are the key properties of 1-butyl-6-chloro-1H-indene?
1-butyl-6-chloro-1H-indene has a molecular weight of 206.72 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-chloro-1H-indene is sourced from PubChem (CID 174468161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).