1-(2-fluorophenyl)-3-phenoxypropan-2-one

C15H13FO2 — CID 43799913

IUPAC1-(2-fluorophenyl)-3-phenoxypropan-2-one
SMILESO=C(COc1ccccc1)Cc1ccccc1F
InChIInChI=1S/C15H13FO2/c16-15-9-5-4-6-12(15)10-13(17)11-18-14-7-2-1-3-8-14/h1-9H,10-11H2
InChIKeyBPELZTMZLMJZED-UHFFFAOYSA-N
MW244.27 g/mol
LogP3.02
Rot. Bonds5

About 1-(2-fluorophenyl)-3-phenoxypropan-2-one

1-(2-fluorophenyl)-3-phenoxypropan-2-one (PubChem CID 43799913) has the molecular formula C15H13FO2 and a molecular weight of 244.27 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-phenoxypropan-2-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-phenoxypropan-2-one
PubChem CID43799913
Molecular FormulaC15H13FO2
Molecular Weight244.27 g/mol
Exact Mass244.09
IUPAC Name1-(2-fluorophenyl)-3-phenoxypropan-2-one
SMILESO=C(COc1ccccc1)Cc1ccccc1F
InChIInChI=1S/C15H13FO2/c16-15-9-5-4-6-12(15)10-13(17)11-18-14-7-2-1-3-8-14/h1-9H,10-11H2
InChIKeyBPELZTMZLMJZED-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-(2-fluorophenyl)-3-(2-phenoxyethoxy)propan-2-one
CID 43798579
1-(2-fluorophenyl)-3-(4-nitrophenoxy)propan-2-one
CID 61031387
1-(5-bromo-2-fluorophenyl)-3-phenoxypropan-2-one
CID 62716864
1-(3,4-dichlorophenoxy)-3-(2-fluorophenyl)propan-2-one
CID 62034523
1-(2-fluoro-5-methylphenoxy)-3-(2-fluorophenyl)propan-2-one
CID 64854059
1-(2-bromo-4-fluorophenyl)-3-phenoxypropan-2-one
CID 62717383
1-(4-fluorophenoxy)-3-phenylpropan-2-one
CID 43799903
1-(2,3-dichlorophenoxy)-3-(2-fluorophenyl)propan-2-one
CID 62030082
1-(2-fluorophenyl)-3-(2-methylpropoxy)propan-2-one
CID 43798706
carbonic acid;1-ethyl-2-fluorobenzene
CID 174964119
N'-[2-(4-bromophenoxy)acetyl]-2-(2-fluorophenyl)acetohydrazide
CID 7809057
1-(cyclopropylmethoxy)-3-(2-fluorophenyl)propan-2-one
CID 43799215

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-phenoxypropan-2-one?
The IUPAC name of 1-(2-fluorophenyl)-3-phenoxypropan-2-one (CID 43799913) is 1-(2-fluorophenyl)-3-phenoxypropan-2-one.
What is the SMILES notation for 1-(2-fluorophenyl)-3-phenoxypropan-2-one?
The canonical SMILES for 1-(2-fluorophenyl)-3-phenoxypropan-2-one is O=C(COc1ccccc1)Cc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-phenoxypropan-2-one?
The InChIKey is BPELZTMZLMJZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO2/c16-15-9-5-4-6-12(15)10-13(17)11-18-14-7-2-1-3-8-14/h1-9H,10-11H2.
What are the key properties of 1-(2-fluorophenyl)-3-phenoxypropan-2-one?
1-(2-fluorophenyl)-3-phenoxypropan-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-(2-fluorophenyl)-3-phenoxypropan-2-one is sourced from PubChem (CID 43799913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).