1-[4-bromo-2-(4-fluorophenoxy)phenyl]ethanone

C14H10BrFO2 — CID 82966600

IUPAC1-[4-bromo-2-(4-fluorophenoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(Br)cc1Oc1ccc(F)cc1
InChIInChI=1S/C14H10BrFO2/c1-9(17)13-7-2-10(15)8-14(13)18-12-5-3-11(16)4-6-12/h2-8H,1H3
InChIKeyOMZKTNWIVAESCI-UHFFFAOYSA-N
MW309.13 g/mol
LogP4.58
Rot. Bonds3

About 1-[4-bromo-2-(4-fluorophenoxy)phenyl]ethanone

1-[4-bromo-2-(4-fluorophenoxy)phenyl]ethanone (PubChem CID 82966600) has the molecular formula C14H10BrFO2 and a molecular weight of 309.13 g/mol. Its IUPAC name is 1-[4-bromo-2-(4-fluorophenoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-bromo-2-(4-fluorophenoxy)phenyl]ethanone
PubChem CID82966600
Molecular FormulaC14H10BrFO2
Molecular Weight309.13 g/mol
Exact Mass307.98
IUPAC Name1-[4-bromo-2-(4-fluorophenoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(Br)cc1Oc1ccc(F)cc1
InChIInChI=1S/C14H10BrFO2/c1-9(17)13-7-2-10(15)8-14(13)18-12-5-3-11(16)4-6-12/h2-8H,1H3
InChIKeyOMZKTNWIVAESCI-UHFFFAOYSA-N
XLogP4.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.13
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-bromo-2-(4-bromophenoxy)phenyl]ethanone
CID 82966599
1-[5-bromo-2-(4-fluorophenoxy)phenyl]ethanone
CID 82966681
1-[4-bromo-2-(3,5-dimethylphenoxy)phenyl]ethanone
CID 82967401
1-[2-(4-fluorophenoxy)phenyl]ethanone
CID 10633209
1-[4-bromo-2-(4-bromo-3,5-dimethylphenoxy)phenyl]ethanone
CID 107724723
1-[4-bromo-2-(4-butan-2-ylphenoxy)phenyl]ethanone
CID 107665196
1-[5-bromo-2-(4-bromophenoxy)phenyl]ethanone
CID 82966680
1-[5-fluoro-2-(4-fluorophenoxy)phenyl]ethanone
CID 14797581
1-[4-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]ethanone
CID 102948099
5-bromo-2-(4-fluorophenoxy)benzoic acid;methyl 5-bromo-2-(4-fluorophenoxy)benzoate
CID 164969809
1-[4-bromo-2-(4-fluorophenoxy)phenyl]ethanol
CID 82971322
1-[2-(5-bromo-2-methylphenoxy)phenyl]ethanone
CID 107284751

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(4-fluorophenoxy)phenyl]ethanone?
The IUPAC name of 1-[4-bromo-2-(4-fluorophenoxy)phenyl]ethanone (CID 82966600) is 1-[4-bromo-2-(4-fluorophenoxy)phenyl]ethanone.
What is the SMILES notation for 1-[4-bromo-2-(4-fluorophenoxy)phenyl]ethanone?
The canonical SMILES for 1-[4-bromo-2-(4-fluorophenoxy)phenyl]ethanone is CC(=O)c1ccc(Br)cc1Oc1ccc(F)cc1.
What is the InChIKey of 1-[4-bromo-2-(4-fluorophenoxy)phenyl]ethanone?
The InChIKey is OMZKTNWIVAESCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFO2/c1-9(17)13-7-2-10(15)8-14(13)18-12-5-3-11(16)4-6-12/h2-8H,1H3.
What are the key properties of 1-[4-bromo-2-(4-fluorophenoxy)phenyl]ethanone?
1-[4-bromo-2-(4-fluorophenoxy)phenyl]ethanone has a molecular weight of 309.13 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(4-fluorophenoxy)phenyl]ethanone is sourced from PubChem (CID 82966600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).