1-butyl-6-chloroindole

C12H14ClN — CID 67583801

IUPAC1-butyl-6-chloroindole
SMILESCCCCn1ccc2ccc(Cl)cc21
InChIInChI=1S/C12H14ClN/c1-2-3-7-14-8-6-10-4-5-11(13)9-12(10)14/h4-6,8-9H,2-3,7H2,1H3
InChIKeyVFQDZRZQZLTEPF-UHFFFAOYSA-N
MW207.70 g/mol
LogP4.09
Rot. Bonds3

About 1-butyl-6-chloroindole

1-butyl-6-chloroindole (PubChem CID 67583801) has the molecular formula C12H14ClN and a molecular weight of 207.70 g/mol. Its IUPAC name is 1-butyl-6-chloroindole.

Molecular Properties

Compound Name1-butyl-6-chloroindole
PubChem CID67583801
Molecular FormulaC12H14ClN
Molecular Weight207.70 g/mol
Exact Mass207.08
IUPAC Name1-butyl-6-chloroindole
SMILESCCCCn1ccc2ccc(Cl)cc21
InChIInChI=1S/C12H14ClN/c1-2-3-7-14-8-6-10-4-5-11(13)9-12(10)14/h4-6,8-9H,2-3,7H2,1H3
InChIKeyVFQDZRZQZLTEPF-UHFFFAOYSA-N
XLogP4.09
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-chloroindole?
The IUPAC name of 1-butyl-6-chloroindole (CID 67583801) is 1-butyl-6-chloroindole.
What is the SMILES notation for 1-butyl-6-chloroindole?
The canonical SMILES for 1-butyl-6-chloroindole is CCCCn1ccc2ccc(Cl)cc21.
What is the InChIKey of 1-butyl-6-chloroindole?
The InChIKey is VFQDZRZQZLTEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN/c1-2-3-7-14-8-6-10-4-5-11(13)9-12(10)14/h4-6,8-9H,2-3,7H2,1H3.
What are the key properties of 1-butyl-6-chloroindole?
1-butyl-6-chloroindole has a molecular weight of 207.70 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-chloroindole is sourced from PubChem (CID 67583801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).