1-(4-bromo-2-chlorophenyl)-2-phenylmethoxyethanone

C15H12BrClO2 — CID 146010879

IUPAC1-(4-bromo-2-chlorophenyl)-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H12BrClO2/c16-12-6-7-13(14(17)8-12)15(18)10-19-9-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyYNEPRTIFPPKRNR-UHFFFAOYSA-N
MW339.62 g/mol
LogP4.50
Rot. Bonds5

About 1-(4-bromo-2-chlorophenyl)-2-phenylmethoxyethanone

1-(4-bromo-2-chlorophenyl)-2-phenylmethoxyethanone (PubChem CID 146010879) has the molecular formula C15H12BrClO2 and a molecular weight of 339.62 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-2-phenylmethoxyethanone
PubChem CID146010879
Molecular FormulaC15H12BrClO2
Molecular Weight339.62 g/mol
Exact Mass337.97
IUPAC Name1-(4-bromo-2-chlorophenyl)-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H12BrClO2/c16-12-6-7-13(14(17)8-12)15(18)10-19-9-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyYNEPRTIFPPKRNR-UHFFFAOYSA-N
XLogP4.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.62
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-fluorophenyl)-2-phenylmethoxyethanone
CID 146009455
1-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylmethoxyethanone
CID 146009826
1-(4-bromo-2-chlorophenyl)-2-ethoxyethanone
CID 115782953
1-(2,5-dichlorophenyl)-2-phenylmethoxyethanone
CID 62030960
1-(3,4-dichlorophenyl)-2-phenylmethoxyethanone
CID 55031191
methyl 5-chloro-2-(2-phenylmethoxyacetyl)benzoate
CID 146010495
1-(4-bromo-2,6-difluorophenyl)-2-phenylmethoxyethanone
CID 146011181
1-(4-bromo-2,6-dimethylphenyl)-2-phenylmethoxyethanone
CID 146011151
2-(4-bromo-2-chlorophenoxy)-1-(2-chlorophenyl)ethanone
CID 60624979
1-(2-chloro-3-methylphenyl)-2-phenylmethoxyethanone
CID 146009929
1-(2-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethanone
CID 62031532
N-(5-bromo-3-chloro-2-hydroxyphenyl)-2-phenylmethoxyacetamide
CID 75393896

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-2-phenylmethoxyethanone?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-2-phenylmethoxyethanone (CID 146010879) is 1-(4-bromo-2-chlorophenyl)-2-phenylmethoxyethanone.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-2-phenylmethoxyethanone?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-2-phenylmethoxyethanone is O=C(COCc1ccccc1)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-2-phenylmethoxyethanone?
The InChIKey is YNEPRTIFPPKRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClO2/c16-12-6-7-13(14(17)8-12)15(18)10-19-9-11-4-2-1-3-5-11/h1-8H,9-10H2.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-2-phenylmethoxyethanone?
1-(4-bromo-2-chlorophenyl)-2-phenylmethoxyethanone has a molecular weight of 339.62 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-2-phenylmethoxyethanone is sourced from PubChem (CID 146010879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).