2-(4-chlorophenyl)-3-propan-2-yl-1H-indole

C17H16ClN — CID 52941962

IUPAC2-(4-chlorophenyl)-3-propan-2-yl-1H-indole
SMILESCC(C)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12
InChIInChI=1S/C17H16ClN/c1-11(2)16-14-5-3-4-6-15(14)19-17(16)12-7-9-13(18)10-8-12/h3-11,19H,1-2H3
InChIKeyRJCSVKWAOJXHLM-UHFFFAOYSA-N
MW269.78 g/mol
LogP5.61
Rot. Bonds2

About 2-(4-chlorophenyl)-3-propan-2-yl-1H-indole

2-(4-chlorophenyl)-3-propan-2-yl-1H-indole (PubChem CID 52941962) has the molecular formula C17H16ClN and a molecular weight of 269.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-propan-2-yl-1H-indole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-propan-2-yl-1H-indole
PubChem CID52941962
Molecular FormulaC17H16ClN
Molecular Weight269.78 g/mol
Exact Mass269.10
IUPAC Name2-(4-chlorophenyl)-3-propan-2-yl-1H-indole
SMILESCC(C)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12
InChIInChI=1S/C17H16ClN/c1-11(2)16-14-5-3-4-6-15(14)19-17(16)12-7-9-13(18)10-8-12/h3-11,19H,1-2H3
InChIKeyRJCSVKWAOJXHLM-UHFFFAOYSA-N
XLogP5.61
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.78
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

Carbazole
CID 6854
2-Methylindole
CID 7224
LE-300
CID 4350931
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
ST-1936
CID 9921064
1,2,3,4-Tetrahydrocarbazole
CID 13664
3-tert-butyl-9H-carbazole
CID 12117342
2-Methyl-1H-indole-3-ethylamine
CID 75949
2-ethyl-9H-carbazole
CID 138537

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-propan-2-yl-1H-indole?
The IUPAC name of 2-(4-chlorophenyl)-3-propan-2-yl-1H-indole (CID 52941962) is 2-(4-chlorophenyl)-3-propan-2-yl-1H-indole.
What is the SMILES notation for 2-(4-chlorophenyl)-3-propan-2-yl-1H-indole?
The canonical SMILES for 2-(4-chlorophenyl)-3-propan-2-yl-1H-indole is CC(C)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)-3-propan-2-yl-1H-indole?
The InChIKey is RJCSVKWAOJXHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN/c1-11(2)16-14-5-3-4-6-15(14)19-17(16)12-7-9-13(18)10-8-12/h3-11,19H,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-3-propan-2-yl-1H-indole?
2-(4-chlorophenyl)-3-propan-2-yl-1H-indole has a molecular weight of 269.78 g/mol, XLogP of 5.61, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-propan-2-yl-1H-indole is sourced from PubChem (CID 52941962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).