1-(5-bromo-2-fluorophenyl)-3-phenoxypropan-2-one

C15H12BrFO2 — CID 62716864

IUPAC1-(5-bromo-2-fluorophenyl)-3-phenoxypropan-2-one
SMILESO=C(COc1ccccc1)Cc1cc(Br)ccc1F
InChIInChI=1S/C15H12BrFO2/c16-12-6-7-15(17)11(8-12)9-13(18)10-19-14-4-2-1-3-5-14/h1-8H,9-10H2
InChIKeyQOVVECOLFCWQPW-UHFFFAOYSA-N
MW323.16 g/mol
LogP3.78
Rot. Bonds5

About 1-(5-bromo-2-fluorophenyl)-3-phenoxypropan-2-one

1-(5-bromo-2-fluorophenyl)-3-phenoxypropan-2-one (PubChem CID 62716864) has the molecular formula C15H12BrFO2 and a molecular weight of 323.16 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-3-phenoxypropan-2-one.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-3-phenoxypropan-2-one
PubChem CID62716864
Molecular FormulaC15H12BrFO2
Molecular Weight323.16 g/mol
Exact Mass322.00
IUPAC Name1-(5-bromo-2-fluorophenyl)-3-phenoxypropan-2-one
SMILESO=C(COc1ccccc1)Cc1cc(Br)ccc1F
InChIInChI=1S/C15H12BrFO2/c16-12-6-7-15(17)11(8-12)9-13(18)10-19-14-4-2-1-3-5-14/h1-8H,9-10H2
InChIKeyQOVVECOLFCWQPW-UHFFFAOYSA-N
XLogP3.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(5-bromo-2-fluorophenyl)-3-phenoxypropan-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

1-(2-fluorophenyl)-3-phenoxypropan-2-one
CID 43799913
1-(2-bromo-4-fluorophenyl)-3-phenoxypropan-2-one
CID 62717383
1-(5-bromo-2-fluorophenyl)-3-propoxypropan-2-one
CID 62621749
1-(5-bromo-2-pyridinyl)-3-phenoxypropan-2-one
CID 104798819
1-(5-bromo-2-fluorophenyl)-3-(3-bromophenyl)propan-2-one
CID 63409310
1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-one
CID 55095977
1-(2-chloro-4-methylphenyl)-3-phenoxypropan-2-one
CID 106865437
1-(2-fluorophenyl)-3-(2-phenoxyethoxy)propan-2-one
CID 43798579
3-phenoxypropyl 5-bromo-2-fluorobenzoate
CID 55568169
5-bromo-2-fluoro-N-(2-phenoxyethyl)benzamide
CID 17431359
1-(4-fluorophenoxy)-3-phenylpropan-2-one
CID 43799903
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-phenoxypropanamide
CID 55580788

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-phenoxypropan-2-one?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-phenoxypropan-2-one (CID 62716864) is 1-(5-bromo-2-fluorophenyl)-3-phenoxypropan-2-one.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-3-phenoxypropan-2-one?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-3-phenoxypropan-2-one is O=C(COc1ccccc1)Cc1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-3-phenoxypropan-2-one?
The InChIKey is QOVVECOLFCWQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO2/c16-12-6-7-15(17)11(8-12)9-13(18)10-19-14-4-2-1-3-5-14/h1-8H,9-10H2.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-3-phenoxypropan-2-one?
1-(5-bromo-2-fluorophenyl)-3-phenoxypropan-2-one has a molecular weight of 323.16 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-3-phenoxypropan-2-one is sourced from PubChem (CID 62716864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).