2-(4-chlorophenyl)-5-propan-2-yl-1H-indole

C17H16ClN — CID 131887091

IUPAC2-(4-chlorophenyl)-5-propan-2-yl-1H-indole
SMILESCC(C)c1ccc2[nH]c(-c3ccc(Cl)cc3)cc2c1
InChIInChI=1S/C17H16ClN/c1-11(2)13-5-8-16-14(9-13)10-17(19-16)12-3-6-15(18)7-4-12/h3-11,19H,1-2H3
InChIKeyAAFBCCHYWWTOQF-UHFFFAOYSA-N
MW269.78 g/mol
LogP5.61
Rot. Bonds2

About 2-(4-chlorophenyl)-5-propan-2-yl-1H-indole

2-(4-chlorophenyl)-5-propan-2-yl-1H-indole (PubChem CID 131887091) has the molecular formula C17H16ClN and a molecular weight of 269.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-propan-2-yl-1H-indole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-propan-2-yl-1H-indole
PubChem CID131887091
Molecular FormulaC17H16ClN
Molecular Weight269.78 g/mol
Exact Mass269.10
IUPAC Name2-(4-chlorophenyl)-5-propan-2-yl-1H-indole
SMILESCC(C)c1ccc2[nH]c(-c3ccc(Cl)cc3)cc2c1
InChIInChI=1S/C17H16ClN/c1-11(2)13-5-8-16-14(9-13)10-17(19-16)12-3-6-15(18)7-4-12/h3-11,19H,1-2H3
InChIKeyAAFBCCHYWWTOQF-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-propan-2-yl-1H-indole?
The IUPAC name of 2-(4-chlorophenyl)-5-propan-2-yl-1H-indole (CID 131887091) is 2-(4-chlorophenyl)-5-propan-2-yl-1H-indole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-propan-2-yl-1H-indole?
The canonical SMILES for 2-(4-chlorophenyl)-5-propan-2-yl-1H-indole is CC(C)c1ccc2[nH]c(-c3ccc(Cl)cc3)cc2c1.
What is the InChIKey of 2-(4-chlorophenyl)-5-propan-2-yl-1H-indole?
The InChIKey is AAFBCCHYWWTOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN/c1-11(2)13-5-8-16-14(9-13)10-17(19-16)12-3-6-15(18)7-4-12/h3-11,19H,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-5-propan-2-yl-1H-indole?
2-(4-chlorophenyl)-5-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)-5-propan-2-yl-1H-indole is sourced from PubChem (CID 131887091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).