1-(4-bromo-3-fluorophenyl)-3-phenylpropan-1-one

C15H12BrFO — CID 24725587

IUPAC1-(4-bromo-3-fluorophenyl)-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)c1ccc(Br)c(F)c1
InChIInChI=1S/C15H12BrFO/c16-13-8-7-12(10-14(13)17)15(18)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2
InChIKeyCECXHGQUUVNHMZ-UHFFFAOYSA-N
MW307.16 g/mol
LogP4.40
Rot. Bonds4

About 1-(4-bromo-3-fluorophenyl)-3-phenylpropan-1-one

1-(4-bromo-3-fluorophenyl)-3-phenylpropan-1-one (PubChem CID 24725587) has the molecular formula C15H12BrFO and a molecular weight of 307.16 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-3-phenylpropan-1-one
PubChem CID24725587
Molecular FormulaC15H12BrFO
Molecular Weight307.16 g/mol
Exact Mass306.01
IUPAC Name1-(4-bromo-3-fluorophenyl)-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)c1ccc(Br)c(F)c1
InChIInChI=1S/C15H12BrFO/c16-13-8-7-12(10-14(13)17)15(18)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2
InChIKeyCECXHGQUUVNHMZ-UHFFFAOYSA-N
XLogP4.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.16
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-amino-3-fluorophenyl)-3-phenylpropan-1-one
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4-bromo-1-(4-bromo-3-fluorophenyl)butan-1-one
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CID 18351990
1-(4-bromo-3-fluorophenyl)-3-cyclopropylpropan-1-one
CID 114978332
1-(3-bromo-4-chlorophenyl)-4-phenylbutan-1-one
CID 115565858
1-(4-bromo-3-fluorophenyl)-4-ethylsulfonylbutan-1-one
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1-(4-iodophenyl)-3-phenylpropan-1-one
CID 43160297
1-(3,4-difluorophenyl)-3-(3,4,5-trifluorophenyl)propan-1-one
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CID 114962413

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-3-phenylpropan-1-one?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-3-phenylpropan-1-one (CID 24725587) is 1-(4-bromo-3-fluorophenyl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-3-phenylpropan-1-one is O=C(CCc1ccccc1)c1ccc(Br)c(F)c1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-3-phenylpropan-1-one?
The InChIKey is CECXHGQUUVNHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO/c16-13-8-7-12(10-14(13)17)15(18)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-3-phenylpropan-1-one?
1-(4-bromo-3-fluorophenyl)-3-phenylpropan-1-one has a molecular weight of 307.16 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)-3-phenylpropan-1-one is sourced from PubChem (CID 24725587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).