2-(4-ethylphenyl)-5,7-dimethyl-1H-indole

C18H19N — CID 131886815

IUPAC2-(4-ethylphenyl)-5,7-dimethyl-1H-indole
SMILESCCc1ccc(-c2cc3cc(C)cc(C)c3[nH]2)cc1
InChIInChI=1S/C18H19N/c1-4-14-5-7-15(8-6-14)17-11-16-10-12(2)9-13(3)18(16)19-17/h5-11,19H,4H2,1-3H3
InChIKeySNLUSVWLYYPVRP-UHFFFAOYSA-N
MW249.36 g/mol
LogP5.01
Rot. Bonds2

About 2-(4-ethylphenyl)-5,7-dimethyl-1H-indole

2-(4-ethylphenyl)-5,7-dimethyl-1H-indole (PubChem CID 131886815) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-5,7-dimethyl-1H-indole.

Molecular Properties

Compound Name2-(4-ethylphenyl)-5,7-dimethyl-1H-indole
PubChem CID131886815
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name2-(4-ethylphenyl)-5,7-dimethyl-1H-indole
SMILESCCc1ccc(-c2cc3cc(C)cc(C)c3[nH]2)cc1
InChIInChI=1S/C18H19N/c1-4-14-5-7-15(8-6-14)17-11-16-10-12(2)9-13(3)18(16)19-17/h5-11,19H,4H2,1-3H3
InChIKeySNLUSVWLYYPVRP-UHFFFAOYSA-N
XLogP5.01
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.36
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-5,7-dimethyl-1H-indole?
The IUPAC name of 2-(4-ethylphenyl)-5,7-dimethyl-1H-indole (CID 131886815) is 2-(4-ethylphenyl)-5,7-dimethyl-1H-indole.
What is the SMILES notation for 2-(4-ethylphenyl)-5,7-dimethyl-1H-indole?
The canonical SMILES for 2-(4-ethylphenyl)-5,7-dimethyl-1H-indole is CCc1ccc(-c2cc3cc(C)cc(C)c3[nH]2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-5,7-dimethyl-1H-indole?
The InChIKey is SNLUSVWLYYPVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c1-4-14-5-7-15(8-6-14)17-11-16-10-12(2)9-13(3)18(16)19-17/h5-11,19H,4H2,1-3H3.
What are the key properties of 2-(4-ethylphenyl)-5,7-dimethyl-1H-indole?
2-(4-ethylphenyl)-5,7-dimethyl-1H-indole has a molecular weight of 249.36 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-5,7-dimethyl-1H-indole is sourced from PubChem (CID 131886815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).