1-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]ethanone

C15H12ClFO2 — CID 91863383

IUPAC1-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1F
InChIInChI=1S/C15H12ClFO2/c1-10(18)14-7-6-13(8-15(14)17)19-9-11-2-4-12(16)5-3-11/h2-8H,9H2,1H3
InChIKeySDTVXTMXBDLFOW-UHFFFAOYSA-N
MW278.71 g/mol
LogP4.26
Rot. Bonds4

About 1-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]ethanone

1-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]ethanone (PubChem CID 91863383) has the molecular formula C15H12ClFO2 and a molecular weight of 278.71 g/mol. Its IUPAC name is 1-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]ethanone
PubChem CID91863383
Molecular FormulaC15H12ClFO2
Molecular Weight278.71 g/mol
Exact Mass278.05
IUPAC Name1-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1F
InChIInChI=1S/C15H12ClFO2/c1-10(18)14-7-6-13(8-15(14)17)19-9-11-2-4-12(16)5-3-11/h2-8H,9H2,1H3
InChIKeySDTVXTMXBDLFOW-UHFFFAOYSA-N
XLogP4.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]ethanone?
The IUPAC name of 1-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]ethanone (CID 91863383) is 1-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]ethanone.
What is the SMILES notation for 1-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]ethanone?
The canonical SMILES for 1-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]ethanone is CC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1F.
What is the InChIKey of 1-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]ethanone?
The InChIKey is SDTVXTMXBDLFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO2/c1-10(18)14-7-6-13(8-15(14)17)19-9-11-2-4-12(16)5-3-11/h2-8H,9H2,1H3.
What are the key properties of 1-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]ethanone?
1-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]ethanone has a molecular weight of 278.71 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]ethanone is sourced from PubChem (CID 91863383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).