4-fluoro-3-[(4-methoxyphenoxy)methyl]-1-propan-2-ylindole

C19H20FNO2 — CID 117171977

IUPAC4-fluoro-3-[(4-methoxyphenoxy)methyl]-1-propan-2-ylindole
SMILESCOc1ccc(OCc2cn(C(C)C)c3cccc(F)c23)cc1
InChIInChI=1S/C19H20FNO2/c1-13(2)21-11-14(19-17(20)5-4-6-18(19)21)12-23-16-9-7-15(22-3)8-10-16/h4-11,13H,12H2,1-3H3
InChIKeyXYAAASXXOXLRQK-UHFFFAOYSA-N
MW313.37 g/mol
LogP4.95
Rot. Bonds5

About 4-fluoro-3-[(4-methoxyphenoxy)methyl]-1-propan-2-ylindole

4-fluoro-3-[(4-methoxyphenoxy)methyl]-1-propan-2-ylindole (PubChem CID 117171977) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is 4-fluoro-3-[(4-methoxyphenoxy)methyl]-1-propan-2-ylindole.

Molecular Properties

Compound Name4-fluoro-3-[(4-methoxyphenoxy)methyl]-1-propan-2-ylindole
PubChem CID117171977
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name4-fluoro-3-[(4-methoxyphenoxy)methyl]-1-propan-2-ylindole
SMILESCOc1ccc(OCc2cn(C(C)C)c3cccc(F)c23)cc1
InChIInChI=1S/C19H20FNO2/c1-13(2)21-11-14(19-17(20)5-4-6-18(19)21)12-23-16-9-7-15(22-3)8-10-16/h4-11,13H,12H2,1-3H3
InChIKeyXYAAASXXOXLRQK-UHFFFAOYSA-N
XLogP4.95
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(4-methoxyphenoxy)methyl]-1-propan-2-ylindole?
The IUPAC name of 4-fluoro-3-[(4-methoxyphenoxy)methyl]-1-propan-2-ylindole (CID 117171977) is 4-fluoro-3-[(4-methoxyphenoxy)methyl]-1-propan-2-ylindole.
What is the SMILES notation for 4-fluoro-3-[(4-methoxyphenoxy)methyl]-1-propan-2-ylindole?
The canonical SMILES for 4-fluoro-3-[(4-methoxyphenoxy)methyl]-1-propan-2-ylindole is COc1ccc(OCc2cn(C(C)C)c3cccc(F)c23)cc1.
What is the InChIKey of 4-fluoro-3-[(4-methoxyphenoxy)methyl]-1-propan-2-ylindole?
The InChIKey is XYAAASXXOXLRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-13(2)21-11-14(19-17(20)5-4-6-18(19)21)12-23-16-9-7-15(22-3)8-10-16/h4-11,13H,12H2,1-3H3.
What are the key properties of 4-fluoro-3-[(4-methoxyphenoxy)methyl]-1-propan-2-ylindole?
4-fluoro-3-[(4-methoxyphenoxy)methyl]-1-propan-2-ylindole has a molecular weight of 313.37 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(4-methoxyphenoxy)methyl]-1-propan-2-ylindole is sourced from PubChem (CID 117171977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).