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

C12H14ClN — CID 46915440

IUPAC2-butyl-4-chloro-1H-indole
SMILESCCCCc1cc2c(Cl)cccc2[nH]1
InChIInChI=1S/C12H14ClN/c1-2-3-5-9-8-10-11(13)6-4-7-12(10)14-9/h4,6-8,14H,2-3,5H2,1H3
InChIKeyDKFCHZHBFCMMGD-UHFFFAOYSA-N
MW207.70 g/mol
LogP4.16
Rot. Bonds3

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

2-butyl-4-chloro-1H-indole (PubChem CID 46915440) has the molecular formula C12H14ClN and a molecular weight of 207.70 g/mol. Its IUPAC name is 2-butyl-4-chloro-1H-indole.

Molecular Properties

Compound Name2-butyl-4-chloro-1H-indole
PubChem CID46915440
Molecular FormulaC12H14ClN
Molecular Weight207.70 g/mol
Exact Mass207.08
IUPAC Name2-butyl-4-chloro-1H-indole
SMILESCCCCc1cc2c(Cl)cccc2[nH]1
InChIInChI=1S/C12H14ClN/c1-2-3-5-9-8-10-11(13)6-4-7-12(10)14-9/h4,6-8,14H,2-3,5H2,1H3
InChIKeyDKFCHZHBFCMMGD-UHFFFAOYSA-N
XLogP4.16
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

Carbazole
CID 6854
2-Methylindole
CID 7224
2,3-Dimethylindole
CID 7053
2-Phenylindole
CID 13698
4,9-Dihydro-1-methyl-3H-pyrido(3,4-b)indole
CID 160510
2,3-diphenyl-1H-indole
CID 77020
5-Chlorotryptamine
CID 77379
ST-1936
CID 9921064
5-Chloroindole
CID 87110
3-((Dimethylamino)methyl)-2-methylindole
CID 181513
2-(2-methyl-1H-indol-3-yl)acetonitrile
CID 2802388
3H-Pyrido(3,4-b)indole, 4,9-dihydro-
CID 145772

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-chloro-1H-indole?
The IUPAC name of 2-butyl-4-chloro-1H-indole (CID 46915440) is 2-butyl-4-chloro-1H-indole.
What is the SMILES notation for 2-butyl-4-chloro-1H-indole?
The canonical SMILES for 2-butyl-4-chloro-1H-indole is CCCCc1cc2c(Cl)cccc2[nH]1.
What is the InChIKey of 2-butyl-4-chloro-1H-indole?
The InChIKey is DKFCHZHBFCMMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN/c1-2-3-5-9-8-10-11(13)6-4-7-12(10)14-9/h4,6-8,14H,2-3,5H2,1H3.
What are the key properties of 2-butyl-4-chloro-1H-indole?
2-butyl-4-chloro-1H-indole has a molecular weight of 207.70 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-chloro-1H-indole is sourced from PubChem (CID 46915440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).