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

C16H14BrFO2 — CID 115495326

IUPAC1-[4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(OCc2ccc(Br)cc2F)cc1
InChIInChI=1S/C16H14BrFO2/c1-11(19)8-12-2-6-15(7-3-12)20-10-13-4-5-14(17)9-16(13)18/h2-7,9H,8,10H2,1H3
InChIKeyTUWKDSLIHFGERU-UHFFFAOYSA-N
MW337.19 g/mol
LogP4.30
Rot. Bonds5

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

1-[4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-one (PubChem CID 115495326) has the molecular formula C16H14BrFO2 and a molecular weight of 337.19 g/mol. Its IUPAC name is 1-[4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-one
PubChem CID115495326
Molecular FormulaC16H14BrFO2
Molecular Weight337.19 g/mol
Exact Mass336.02
IUPAC Name1-[4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(OCc2ccc(Br)cc2F)cc1
InChIInChI=1S/C16H14BrFO2/c1-11(19)8-12-2-6-15(7-3-12)20-10-13-4-5-14(17)9-16(13)18/h2-7,9H,8,10H2,1H3
InChIKeyTUWKDSLIHFGERU-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-1-[(4-ethoxyphenoxy)methyl]-2-fluorobenzene
CID 60627290
4-bromo-2-fluoro-1-[(4-fluorophenoxy)methyl]benzene
CID 55027056
4-bromo-1-[(4-tert-butylphenoxy)methyl]-2-fluorobenzene
CID 60627973
4-bromo-2-fluoro-1-[(4-methylsulfonylphenoxy)methyl]benzene
CID 47111059
1-[4-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-one
CID 105403559
N-[[4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 63500958
4-bromo-2-fluoro-1-[(3-fluoro-4-methylphenoxy)methyl]benzene
CID 107170184
1-[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]propan-2-one
CID 104797397
5-[(4-bromo-2-fluorophenyl)methoxy]-2-chlorobenzoic acid
CID 106500714
4-fluoro-3-[[4-(2-oxopropyl)phenoxy]methyl]benzonitrile
CID 115495414
1-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]-2-methylbenzene
CID 83134047
1-[(4-bromophenoxy)methyl]-2,4-difluorobenzene
CID 63531797

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-one?
The IUPAC name of 1-[4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-one (CID 115495326) is 1-[4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-one.
What is the SMILES notation for 1-[4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-one?
The canonical SMILES for 1-[4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-one is CC(=O)Cc1ccc(OCc2ccc(Br)cc2F)cc1.
What is the InChIKey of 1-[4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-one?
The InChIKey is TUWKDSLIHFGERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFO2/c1-11(19)8-12-2-6-15(7-3-12)20-10-13-4-5-14(17)9-16(13)18/h2-7,9H,8,10H2,1H3.
What are the key properties of 1-[4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-one?
1-[4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-one has a molecular weight of 337.19 g/mol, XLogP of 4.30, 5 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-fluorophenyl)methoxy]phenyl]propan-2-one is sourced from PubChem (CID 115495326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).