4-fluoro-5-[(2-methylpropan-2-yl)oxy]-2-propyl-1H-indole

C15H20FNO — CID 118446488

IUPAC4-fluoro-5-[(2-methylpropan-2-yl)oxy]-2-propyl-1H-indole
SMILESCCCc1cc2c(F)c(OC(C)(C)C)ccc2[nH]1
InChIInChI=1S/C15H20FNO/c1-5-6-10-9-11-12(17-10)7-8-13(14(11)16)18-15(2,3)4/h7-9,17H,5-6H2,1-4H3
InChIKeyHYOMKZWSONFJPM-UHFFFAOYSA-N
MW249.33 g/mol
LogP4.44
Rot. Bonds3

About 4-fluoro-5-[(2-methylpropan-2-yl)oxy]-2-propyl-1H-indole

4-fluoro-5-[(2-methylpropan-2-yl)oxy]-2-propyl-1H-indole (PubChem CID 118446488) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 4-fluoro-5-[(2-methylpropan-2-yl)oxy]-2-propyl-1H-indole.

Molecular Properties

Compound Name4-fluoro-5-[(2-methylpropan-2-yl)oxy]-2-propyl-1H-indole
PubChem CID118446488
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name4-fluoro-5-[(2-methylpropan-2-yl)oxy]-2-propyl-1H-indole
SMILESCCCc1cc2c(F)c(OC(C)(C)C)ccc2[nH]1
InChIInChI=1S/C15H20FNO/c1-5-6-10-9-11-12(17-10)7-8-13(14(11)16)18-15(2,3)4/h7-9,17H,5-6H2,1-4H3
InChIKeyHYOMKZWSONFJPM-UHFFFAOYSA-N
XLogP4.44
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-[(2-methylpropan-2-yl)oxy]-2-propyl-1H-indole?
The IUPAC name of 4-fluoro-5-[(2-methylpropan-2-yl)oxy]-2-propyl-1H-indole (CID 118446488) is 4-fluoro-5-[(2-methylpropan-2-yl)oxy]-2-propyl-1H-indole.
What is the SMILES notation for 4-fluoro-5-[(2-methylpropan-2-yl)oxy]-2-propyl-1H-indole?
The canonical SMILES for 4-fluoro-5-[(2-methylpropan-2-yl)oxy]-2-propyl-1H-indole is CCCc1cc2c(F)c(OC(C)(C)C)ccc2[nH]1.
What is the InChIKey of 4-fluoro-5-[(2-methylpropan-2-yl)oxy]-2-propyl-1H-indole?
The InChIKey is HYOMKZWSONFJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-5-6-10-9-11-12(17-10)7-8-13(14(11)16)18-15(2,3)4/h7-9,17H,5-6H2,1-4H3.
What are the key properties of 4-fluoro-5-[(2-methylpropan-2-yl)oxy]-2-propyl-1H-indole?
4-fluoro-5-[(2-methylpropan-2-yl)oxy]-2-propyl-1H-indole has a molecular weight of 249.33 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-[(2-methylpropan-2-yl)oxy]-2-propyl-1H-indole is sourced from PubChem (CID 118446488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).