3-(2-fluorophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one

C18H18FNO2 — CID 134016689

IUPAC3-(2-fluorophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
SMILESCC1Cc2ccccc2N1C(=O)CCOc1ccccc1F
InChIInChI=1S/C18H18FNO2/c1-13-12-14-6-2-4-8-16(14)20(13)18(21)10-11-22-17-9-5-3-7-15(17)19/h2-9,13H,10-12H2,1H3
InChIKeyLLLOJMZQIUHZPW-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.57
Rot. Bonds4

About 3-(2-fluorophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one

3-(2-fluorophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 134016689) has the molecular formula C18H18FNO2 and a molecular weight of 299.34 g/mol. Its IUPAC name is 3-(2-fluorophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-fluorophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
PubChem CID134016689
Molecular FormulaC18H18FNO2
Molecular Weight299.34 g/mol
Exact Mass299.13
IUPAC Name3-(2-fluorophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
SMILESCC1Cc2ccccc2N1C(=O)CCOc1ccccc1F
InChIInChI=1S/C18H18FNO2/c1-13-12-14-6-2-4-8-16(14)20(13)18(21)10-11-22-17-9-5-3-7-15(17)19/h2-9,13H,10-12H2,1H3
InChIKeyLLLOJMZQIUHZPW-UHFFFAOYSA-N
XLogP3.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 110838977
1-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridin-3-yloxypropan-1-one
CID 110863873
[(2R)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2-fluorophenoxy)acetate
CID 9140194
[5-[(2-fluorophenoxy)methyl]furan-2-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 51954992
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenoxy)ethanone
CID 19798381
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-fluorobenzoate
CID 18776805
N-(2-fluorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108954785
N-[(2-fluorophenyl)methyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
CID 113139278
3-(2-methoxyethylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 109015312
3-(3,4-difluoroanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 109042608
3-(4-chlorophenyl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 100589425
N-[2-(2-fluorophenyl)ethyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 113121038

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 3-(2-fluorophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one (CID 134016689) is 3-(2-fluorophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 3-(2-fluorophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 3-(2-fluorophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one is CC1Cc2ccccc2N1C(=O)CCOc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is LLLOJMZQIUHZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-13-12-14-6-2-4-8-16(14)20(13)18(21)10-11-22-17-9-5-3-7-15(17)19/h2-9,13H,10-12H2,1H3.
What are the key properties of 3-(2-fluorophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
3-(2-fluorophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 299.34 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 134016689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).