1-(4-fluorophenoxy)-3-phenylpropan-2-one

C15H13FO2 — CID 43799903

IUPAC1-(4-fluorophenoxy)-3-phenylpropan-2-one
SMILESO=C(COc1ccc(F)cc1)Cc1ccccc1
InChIInChI=1S/C15H13FO2/c16-13-6-8-15(9-7-13)18-11-14(17)10-12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyGSSXXGBYPZWYGN-UHFFFAOYSA-N
MW244.27 g/mol
LogP3.02
Rot. Bonds5

About 1-(4-fluorophenoxy)-3-phenylpropan-2-one

1-(4-fluorophenoxy)-3-phenylpropan-2-one (PubChem CID 43799903) has the molecular formula C15H13FO2 and a molecular weight of 244.27 g/mol. Its IUPAC name is 1-(4-fluorophenoxy)-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-(4-fluorophenoxy)-3-phenylpropan-2-one
PubChem CID43799903
Molecular FormulaC15H13FO2
Molecular Weight244.27 g/mol
Exact Mass244.09
IUPAC Name1-(4-fluorophenoxy)-3-phenylpropan-2-one
SMILESO=C(COc1ccc(F)cc1)Cc1ccccc1
InChIInChI=1S/C15H13FO2/c16-13-6-8-15(9-7-13)18-11-14(17)10-12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyGSSXXGBYPZWYGN-UHFFFAOYSA-N
XLogP3.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-hydroxyethyl)phenoxy]-3-phenylpropan-2-one
CID 107709236
1-(4-fluorophenyl)-3-(4-nitrophenoxy)propan-2-one
CID 61031388
1-(4-chloro-3-fluorophenoxy)-3-phenylpropan-2-one
CID 82716660
1-(4-nitrophenoxy)-3-phenylpropan-2-one
CID 61031518
1-(3,5-dichlorophenoxy)-3-(4-fluorophenyl)propan-2-one
CID 62033460
1-(3-bromo-4-fluorophenoxy)-3-(4-fluorophenyl)propan-2-one
CID 83234141
3-[3-(4-fluorophenyl)-2-oxopropoxy]benzonitrile
CID 62030654
1-(4-fluorophenyl)-3-[3-(methoxymethyl)phenoxy]propan-2-one
CID 63985981
1-(3,5-dichlorophenoxy)-3-phenylpropan-2-one
CID 62033281
1-(2-fluorophenyl)-3-phenoxypropan-2-one
CID 43799913
1-(4-fluorophenyl)-3-(2-methylsulfanylphenoxy)propan-2-one
CID 63648016
1-(2-bromo-4-fluorophenyl)-3-phenoxypropan-2-one
CID 62717383

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenoxy)-3-phenylpropan-2-one?
The IUPAC name of 1-(4-fluorophenoxy)-3-phenylpropan-2-one (CID 43799903) is 1-(4-fluorophenoxy)-3-phenylpropan-2-one.
What is the SMILES notation for 1-(4-fluorophenoxy)-3-phenylpropan-2-one?
The canonical SMILES for 1-(4-fluorophenoxy)-3-phenylpropan-2-one is O=C(COc1ccc(F)cc1)Cc1ccccc1.
What is the InChIKey of 1-(4-fluorophenoxy)-3-phenylpropan-2-one?
The InChIKey is GSSXXGBYPZWYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO2/c16-13-6-8-15(9-7-13)18-11-14(17)10-12-4-2-1-3-5-12/h1-9H,10-11H2.
What are the key properties of 1-(4-fluorophenoxy)-3-phenylpropan-2-one?
1-(4-fluorophenoxy)-3-phenylpropan-2-one has a molecular weight of 244.27 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenoxy)-3-phenylpropan-2-one is sourced from PubChem (CID 43799903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).