2-bromo-3-chloro-1-(5-fluoro-2-methoxyphenyl)propan-1-one

C10H9BrClFO2 — CID 82124582

IUPAC2-bromo-3-chloro-1-(5-fluoro-2-methoxyphenyl)propan-1-one
SMILESCOc1ccc(F)cc1C(=O)C(Br)CCl
InChIInChI=1S/C10H9BrClFO2/c1-15-9-3-2-6(13)4-7(9)10(14)8(11)5-12/h2-4,8H,5H2,1H3
InChIKeyZCHLMRCRKCXECN-UHFFFAOYSA-N
MW295.54 g/mol
LogP3.02
Rot. Bonds4

About 2-bromo-3-chloro-1-(5-fluoro-2-methoxyphenyl)propan-1-one

2-bromo-3-chloro-1-(5-fluoro-2-methoxyphenyl)propan-1-one (PubChem CID 82124582) has the molecular formula C10H9BrClFO2 and a molecular weight of 295.54 g/mol. Its IUPAC name is 2-bromo-3-chloro-1-(5-fluoro-2-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-bromo-3-chloro-1-(5-fluoro-2-methoxyphenyl)propan-1-one
PubChem CID82124582
Molecular FormulaC10H9BrClFO2
Molecular Weight295.54 g/mol
Exact Mass293.95
IUPAC Name2-bromo-3-chloro-1-(5-fluoro-2-methoxyphenyl)propan-1-one
SMILESCOc1ccc(F)cc1C(=O)C(Br)CCl
InChIInChI=1S/C10H9BrClFO2/c1-15-9-3-2-6(13)4-7(9)10(14)8(11)5-12/h2-4,8H,5H2,1H3
InChIKeyZCHLMRCRKCXECN-UHFFFAOYSA-N
XLogP3.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.54
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-bromo-3-chloro-1-(5-fluoro-2-methoxyphenyl)propan-1-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

2-bromo-3-chloro-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one
CID 82124813
methyl 2-(5-fluoro-2-methoxybenzoyl)butanoate
CID 116923588
2-ethoxy-1-(5-fluoro-2-methoxyphenyl)butan-1-one
CID 116707692
2-bromo-2,2-difluoro-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 131390571
1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-one
CID 43161544
1-(5-fluoro-2-methoxyphenyl)-2-methyl-3-(methylamino)propan-1-one
CID 116586971
2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 79002350
(5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339633
2,3-dichloro-1-(2-methoxy-5-methylphenyl)propan-1-one
CID 82118567
(2-bromo-4-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339651
1-(5-fluoro-2-methoxyphenyl)-2-methoxy-2-phenylethanone
CID 116751569
propyl 5-fluoro-2-methoxybenzoate
CID 78846828

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-1-(5-fluoro-2-methoxyphenyl)propan-1-one?
The IUPAC name of 2-bromo-3-chloro-1-(5-fluoro-2-methoxyphenyl)propan-1-one (CID 82124582) is 2-bromo-3-chloro-1-(5-fluoro-2-methoxyphenyl)propan-1-one.
What is the SMILES notation for 2-bromo-3-chloro-1-(5-fluoro-2-methoxyphenyl)propan-1-one?
The canonical SMILES for 2-bromo-3-chloro-1-(5-fluoro-2-methoxyphenyl)propan-1-one is COc1ccc(F)cc1C(=O)C(Br)CCl.
What is the InChIKey of 2-bromo-3-chloro-1-(5-fluoro-2-methoxyphenyl)propan-1-one?
The InChIKey is ZCHLMRCRKCXECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClFO2/c1-15-9-3-2-6(13)4-7(9)10(14)8(11)5-12/h2-4,8H,5H2,1H3.
What are the key properties of 2-bromo-3-chloro-1-(5-fluoro-2-methoxyphenyl)propan-1-one?
2-bromo-3-chloro-1-(5-fluoro-2-methoxyphenyl)propan-1-one has a molecular weight of 295.54 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chloro-1-(5-fluoro-2-methoxyphenyl)propan-1-one is sourced from PubChem (CID 82124582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).