1-[4-(4-bromo-2-methylphenoxy)-3-fluorophenyl]ethanone

C15H12BrFO2 — CID 63532817

IUPAC1-[4-(4-bromo-2-methylphenoxy)-3-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccc(Br)cc2C)c(F)c1
InChIInChI=1S/C15H12BrFO2/c1-9-7-12(16)4-6-14(9)19-15-5-3-11(10(2)18)8-13(15)17/h3-8H,1-2H3
InChIKeyDIWGRZYMNWFXCQ-UHFFFAOYSA-N
MW323.16 g/mol
LogP4.89
Rot. Bonds3

About 1-[4-(4-bromo-2-methylphenoxy)-3-fluorophenyl]ethanone

1-[4-(4-bromo-2-methylphenoxy)-3-fluorophenyl]ethanone (PubChem CID 63532817) has the molecular formula C15H12BrFO2 and a molecular weight of 323.16 g/mol. Its IUPAC name is 1-[4-(4-bromo-2-methylphenoxy)-3-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[4-(4-bromo-2-methylphenoxy)-3-fluorophenyl]ethanone
PubChem CID63532817
Molecular FormulaC15H12BrFO2
Molecular Weight323.16 g/mol
Exact Mass322.00
IUPAC Name1-[4-(4-bromo-2-methylphenoxy)-3-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccc(Br)cc2C)c(F)c1
InChIInChI=1S/C15H12BrFO2/c1-9-7-12(16)4-6-14(9)19-15-5-3-11(10(2)18)8-13(15)17/h3-8H,1-2H3
InChIKeyDIWGRZYMNWFXCQ-UHFFFAOYSA-N
XLogP4.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2,4-difluorophenoxy)-3-methylphenyl]ethanone
CID 155458337
1-[4-(4-bromo-3,5-dimethylphenoxy)-3-fluorophenyl]ethanone
CID 107724721
1-[4-(2-bromo-4-methylphenoxy)-3-fluorophenyl]ethanone
CID 28602673
1-[2-(4-bromo-2-methylphenoxy)-5-fluorophenyl]ethanone
CID 63532818
1-[3-(4-bromo-2-fluorophenoxy)phenyl]ethanone
CID 79167211
1-[3-bromo-4-(5-bromo-2-methylphenoxy)phenyl]ethanone
CID 107284752
2-(4-acetyl-2-fluorophenoxy)-5-fluorobenzoic acid
CID 115298221
1-[3-fluoro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanone
CID 63533848
1-[4-(5-bromo-2-methylphenoxy)-3-chlorophenyl]ethanone
CID 107284741
1-[3-chloro-4-(4-chloro-2-methylphenoxy)phenyl]ethanone
CID 55222650
3-[4-(4-bromo-2-methylphenoxy)-3-methylphenyl]prop-2-enoic acid
CID 76999983
methyl 4-(4-acetyl-2-fluorophenoxy)benzoate
CID 60674012

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromo-2-methylphenoxy)-3-fluorophenyl]ethanone?
The IUPAC name of 1-[4-(4-bromo-2-methylphenoxy)-3-fluorophenyl]ethanone (CID 63532817) is 1-[4-(4-bromo-2-methylphenoxy)-3-fluorophenyl]ethanone.
What is the SMILES notation for 1-[4-(4-bromo-2-methylphenoxy)-3-fluorophenyl]ethanone?
The canonical SMILES for 1-[4-(4-bromo-2-methylphenoxy)-3-fluorophenyl]ethanone is CC(=O)c1ccc(Oc2ccc(Br)cc2C)c(F)c1.
What is the InChIKey of 1-[4-(4-bromo-2-methylphenoxy)-3-fluorophenyl]ethanone?
The InChIKey is DIWGRZYMNWFXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO2/c1-9-7-12(16)4-6-14(9)19-15-5-3-11(10(2)18)8-13(15)17/h3-8H,1-2H3.
What are the key properties of 1-[4-(4-bromo-2-methylphenoxy)-3-fluorophenyl]ethanone?
1-[4-(4-bromo-2-methylphenoxy)-3-fluorophenyl]ethanone has a molecular weight of 323.16 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromo-2-methylphenoxy)-3-fluorophenyl]ethanone is sourced from PubChem (CID 63532817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).