1-[4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-1-one

C16H14BrFO2 — CID 30057894

IUPAC1-[4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCc2cc(Br)ccc2F)cc1
InChIInChI=1S/C16H14BrFO2/c1-2-16(19)11-3-6-14(7-4-11)20-10-12-9-13(17)5-8-15(12)18/h3-9H,2,10H2,1H3
InChIKeyZQPOFJILJUYFQS-UHFFFAOYSA-N
MW337.19 g/mol
LogP4.76
Rot. Bonds5

About 1-[4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-1-one

1-[4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-1-one (PubChem CID 30057894) has the molecular formula C16H14BrFO2 and a molecular weight of 337.19 g/mol. Its IUPAC name is 1-[4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-1-one
PubChem CID30057894
Molecular FormulaC16H14BrFO2
Molecular Weight337.19 g/mol
Exact Mass336.02
IUPAC Name1-[4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCc2cc(Br)ccc2F)cc1
InChIInChI=1S/C16H14BrFO2/c1-2-16(19)11-3-6-14(7-4-11)20-10-12-9-13(17)5-8-15(12)18/h3-9H,2,10H2,1H3
InChIKeyZQPOFJILJUYFQS-UHFFFAOYSA-N
XLogP4.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-(4-propanoylphenoxy)acetamide
CID 2711563
2-bromo-4-[(5-bromo-2-fluorophenyl)methoxy]-1-fluorobenzene
CID 83233544
(1S)-1-[4-[(5-bromo-2-fluorophenyl)methoxy]-2-fluorophenyl]ethanol
CID 107720483
1-[4-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanone
CID 102948055
1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-one
CID 102855973
1-[4-[(5-bromo-2-fluorophenyl)methoxy]-3-methoxyphenyl]ethanone
CID 28530286
1-[2-[(5-bromo-2-fluorophenyl)methoxy]-4-methoxyphenyl]ethanone
CID 78978251
1-[4-(4-bromo-2-fluorophenyl)phenyl]propan-1-one
CID 822002
4-[(5-chloro-2-fluorophenyl)methoxy]benzoic acid
CID 103046268
5-[(5-bromo-2-fluorophenyl)methoxy]-2-methylaniline
CID 114252418
4-fluoro-3-[(4-propylphenoxy)methyl]benzoic acid
CID 63530139
4-bromo-1-[(4-ethoxyphenoxy)methyl]-2-fluorobenzene
CID 60627290

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-1-one?
The IUPAC name of 1-[4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-1-one (CID 30057894) is 1-[4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-1-one?
The canonical SMILES for 1-[4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-1-one is CCC(=O)c1ccc(OCc2cc(Br)ccc2F)cc1.
What is the InChIKey of 1-[4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-1-one?
The InChIKey is ZQPOFJILJUYFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFO2/c1-2-16(19)11-3-6-14(7-4-11)20-10-12-9-13(17)5-8-15(12)18/h3-9H,2,10H2,1H3.
What are the key properties of 1-[4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-1-one?
1-[4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-1-one has a molecular weight of 337.19 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-1-one is sourced from PubChem (CID 30057894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).