5-(4-tert-butylphenyl)-1H-indole

C18H19N — CID 16768580

IUPAC5-(4-tert-butylphenyl)-1H-indole
SMILESCC(C)(C)c1ccc(-c2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C18H19N/c1-18(2,3)16-7-4-13(5-8-16)14-6-9-17-15(12-14)10-11-19-17/h4-12,19H,1-3H3
InChIKeyFKWKURVBCKNBNU-UHFFFAOYSA-N
MW249.36 g/mol
LogP5.13
Rot. Bonds1

About 5-(4-tert-butylphenyl)-1H-indole

5-(4-tert-butylphenyl)-1H-indole (PubChem CID 16768580) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-1H-indole.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-1H-indole
PubChem CID16768580
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name5-(4-tert-butylphenyl)-1H-indole
SMILESCC(C)(C)c1ccc(-c2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C18H19N/c1-18(2,3)16-7-4-13(5-8-16)14-6-9-17-15(12-14)10-11-19-17/h4-12,19H,1-3H3
InChIKeyFKWKURVBCKNBNU-UHFFFAOYSA-N
XLogP5.13
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.36
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-1H-indole?
The IUPAC name of 5-(4-tert-butylphenyl)-1H-indole (CID 16768580) is 5-(4-tert-butylphenyl)-1H-indole.
What is the SMILES notation for 5-(4-tert-butylphenyl)-1H-indole?
The canonical SMILES for 5-(4-tert-butylphenyl)-1H-indole is CC(C)(C)c1ccc(-c2ccc3[nH]ccc3c2)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-1H-indole?
The InChIKey is FKWKURVBCKNBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c1-18(2,3)16-7-4-13(5-8-16)14-6-9-17-15(12-14)10-11-19-17/h4-12,19H,1-3H3.
What are the key properties of 5-(4-tert-butylphenyl)-1H-indole?
5-(4-tert-butylphenyl)-1H-indole has a molecular weight of 249.36 g/mol, XLogP of 5.13, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-1H-indole is sourced from PubChem (CID 16768580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).