1-(4-fluorophenyl)-3-(2-methoxyphenoxy)propan-1-one

C16H15FO3 — CID 43793632

IUPAC1-(4-fluorophenyl)-3-(2-methoxyphenoxy)propan-1-one
SMILESCOc1ccccc1OCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H15FO3/c1-19-15-4-2-3-5-16(15)20-11-10-14(18)12-6-8-13(17)9-7-12/h2-9H,10-11H2,1H3
InChIKeyBLWKHMAKXJVIII-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.49
Rot. Bonds6

About 1-(4-fluorophenyl)-3-(2-methoxyphenoxy)propan-1-one

1-(4-fluorophenyl)-3-(2-methoxyphenoxy)propan-1-one (PubChem CID 43793632) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(2-methoxyphenoxy)propan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(2-methoxyphenoxy)propan-1-one
PubChem CID43793632
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name1-(4-fluorophenyl)-3-(2-methoxyphenoxy)propan-1-one
SMILESCOc1ccccc1OCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H15FO3/c1-19-15-4-2-3-5-16(15)20-11-10-14(18)12-6-8-13(17)9-7-12/h2-9H,10-11H2,1H3
InChIKeyBLWKHMAKXJVIII-UHFFFAOYSA-N
XLogP3.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one
CID 43793598
N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenoxy)propanamide
CID 4789934
3-(2-methoxyphenoxy)propanoyl chloride
CID 82040752
3-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one
CID 64853662
N-[2-(2-ethoxyphenoxy)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 21487435
3-(3,5-dimethylphenoxy)-1-(4-fluorophenyl)propan-1-one
CID 43793611
3-(2,5-dichlorophenoxy)-1-(4-fluorophenyl)propan-1-one
CID 62028936
3-(5-bromo-2-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one
CID 114674148
3-(2-amino-3-methoxyphenyl)-1-(4-fluorophenyl)propan-1-one
CID 11372612
[2-(4-ethoxyphenyl)-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate
CID 55317977
1-(4-fluorophenyl)-3-(2-methylpropoxy)propan-1-one
CID 43793380
1-[4-[2-(2-methoxyphenoxy)ethylsulfanyl]phenyl]propan-1-one
CID 94779488

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(2-methoxyphenoxy)propan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-3-(2-methoxyphenoxy)propan-1-one (CID 43793632) is 1-(4-fluorophenyl)-3-(2-methoxyphenoxy)propan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(2-methoxyphenoxy)propan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-(2-methoxyphenoxy)propan-1-one is COc1ccccc1OCCC(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(2-methoxyphenoxy)propan-1-one?
The InChIKey is BLWKHMAKXJVIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c1-19-15-4-2-3-5-16(15)20-11-10-14(18)12-6-8-13(17)9-7-12/h2-9H,10-11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-(2-methoxyphenoxy)propan-1-one?
1-(4-fluorophenyl)-3-(2-methoxyphenoxy)propan-1-one has a molecular weight of 274.29 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(2-methoxyphenoxy)propan-1-one is sourced from PubChem (CID 43793632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).