2-[(4-fluorophenoxy)methyl]-5-methyl-1-propan-2-ylindole

C19H20FNO — CID 117185478

IUPAC2-[(4-fluorophenoxy)methyl]-5-methyl-1-propan-2-ylindole
SMILESCc1ccc2c(c1)cc(COc1ccc(F)cc1)n2C(C)C
InChIInChI=1S/C19H20FNO/c1-13(2)21-17(11-15-10-14(3)4-9-19(15)21)12-22-18-7-5-16(20)6-8-18/h4-11,13H,12H2,1-3H3
InChIKeyNFBPIIYQHRIJHA-UHFFFAOYSA-N
MW297.37 g/mol
LogP5.25
Rot. Bonds4

About 2-[(4-fluorophenoxy)methyl]-5-methyl-1-propan-2-ylindole

2-[(4-fluorophenoxy)methyl]-5-methyl-1-propan-2-ylindole (PubChem CID 117185478) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is 2-[(4-fluorophenoxy)methyl]-5-methyl-1-propan-2-ylindole.

Molecular Properties

Compound Name2-[(4-fluorophenoxy)methyl]-5-methyl-1-propan-2-ylindole
PubChem CID117185478
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC Name2-[(4-fluorophenoxy)methyl]-5-methyl-1-propan-2-ylindole
SMILESCc1ccc2c(c1)cc(COc1ccc(F)cc1)n2C(C)C
InChIInChI=1S/C19H20FNO/c1-13(2)21-17(11-15-10-14(3)4-9-19(15)21)12-22-18-7-5-16(20)6-8-18/h4-11,13H,12H2,1-3H3
InChIKeyNFBPIIYQHRIJHA-UHFFFAOYSA-N
XLogP5.25
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.37
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenoxy)methyl]-5-methyl-1-propan-2-ylindole?
The IUPAC name of 2-[(4-fluorophenoxy)methyl]-5-methyl-1-propan-2-ylindole (CID 117185478) is 2-[(4-fluorophenoxy)methyl]-5-methyl-1-propan-2-ylindole.
What is the SMILES notation for 2-[(4-fluorophenoxy)methyl]-5-methyl-1-propan-2-ylindole?
The canonical SMILES for 2-[(4-fluorophenoxy)methyl]-5-methyl-1-propan-2-ylindole is Cc1ccc2c(c1)cc(COc1ccc(F)cc1)n2C(C)C.
What is the InChIKey of 2-[(4-fluorophenoxy)methyl]-5-methyl-1-propan-2-ylindole?
The InChIKey is NFBPIIYQHRIJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO/c1-13(2)21-17(11-15-10-14(3)4-9-19(15)21)12-22-18-7-5-16(20)6-8-18/h4-11,13H,12H2,1-3H3.
What are the key properties of 2-[(4-fluorophenoxy)methyl]-5-methyl-1-propan-2-ylindole?
2-[(4-fluorophenoxy)methyl]-5-methyl-1-propan-2-ylindole has a molecular weight of 297.37 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenoxy)methyl]-5-methyl-1-propan-2-ylindole is sourced from PubChem (CID 117185478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).