1-(2-bromo-6-chlorophenyl)-2-methoxy-2-phenylethanone

C15H12BrClO2 — CID 114269006

IUPAC1-(2-bromo-6-chlorophenyl)-2-methoxy-2-phenylethanone
SMILESCOC(C(=O)c1c(Cl)cccc1Br)c1ccccc1
InChIInChI=1S/C15H12BrClO2/c1-19-15(10-6-3-2-4-7-10)14(18)13-11(16)8-5-9-12(13)17/h2-9,15H,1H3
InChIKeyFRESKTPJUORVTC-UHFFFAOYSA-N
MW339.62 g/mol
LogP4.67
Rot. Bonds4

About 1-(2-bromo-6-chlorophenyl)-2-methoxy-2-phenylethanone

1-(2-bromo-6-chlorophenyl)-2-methoxy-2-phenylethanone (PubChem CID 114269006) has the molecular formula C15H12BrClO2 and a molecular weight of 339.62 g/mol. Its IUPAC name is 1-(2-bromo-6-chlorophenyl)-2-methoxy-2-phenylethanone.

Molecular Properties

Compound Name1-(2-bromo-6-chlorophenyl)-2-methoxy-2-phenylethanone
PubChem CID114269006
Molecular FormulaC15H12BrClO2
Molecular Weight339.62 g/mol
Exact Mass337.97
IUPAC Name1-(2-bromo-6-chlorophenyl)-2-methoxy-2-phenylethanone
SMILESCOC(C(=O)c1c(Cl)cccc1Br)c1ccccc1
InChIInChI=1S/C15H12BrClO2/c1-19-15(10-6-3-2-4-7-10)14(18)13-11(16)8-5-9-12(13)17/h2-9,15H,1H3
InChIKeyFRESKTPJUORVTC-UHFFFAOYSA-N
XLogP4.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.62
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromothiophen-2-yl)-2-methoxy-2-phenylethanone
CID 116751377
(2R)-2-(2-chlorophenyl)-2-methoxyacetic acid
CID 91331586
CID 59883683
CID 59883683
(2R)-2-(2-bromophenyl)-2-methoxyacetic acid
CID 124585261
N-hydroxy-2-methoxy-2-phenylacetamide
CID 14200442
2-methoxy-1,2-diphenylethanone;1-phenylethanone
CID 159117865
methyl 2-(2-chlorophenoxy)-2-phenylacetate
CID 102391876
[(1S)-1-(2-bromophenyl)ethyl] (2S)-2-methoxy-2-phenylacetate
CID 10066387
2-methoxy-2-phenylacetate
CID 4569340
(2R)-2-methoxy-2-phenylethanethioic S-acid
CID 10910184
2-(2-chloro-6-methoxyphenyl)-2-oxoacetic acid
CID 117305827
1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-2-phenylethanone
CID 106880956

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-chlorophenyl)-2-methoxy-2-phenylethanone?
The IUPAC name of 1-(2-bromo-6-chlorophenyl)-2-methoxy-2-phenylethanone (CID 114269006) is 1-(2-bromo-6-chlorophenyl)-2-methoxy-2-phenylethanone.
What is the SMILES notation for 1-(2-bromo-6-chlorophenyl)-2-methoxy-2-phenylethanone?
The canonical SMILES for 1-(2-bromo-6-chlorophenyl)-2-methoxy-2-phenylethanone is COC(C(=O)c1c(Cl)cccc1Br)c1ccccc1.
What is the InChIKey of 1-(2-bromo-6-chlorophenyl)-2-methoxy-2-phenylethanone?
The InChIKey is FRESKTPJUORVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClO2/c1-19-15(10-6-3-2-4-7-10)14(18)13-11(16)8-5-9-12(13)17/h2-9,15H,1H3.
What are the key properties of 1-(2-bromo-6-chlorophenyl)-2-methoxy-2-phenylethanone?
1-(2-bromo-6-chlorophenyl)-2-methoxy-2-phenylethanone has a molecular weight of 339.62 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-chlorophenyl)-2-methoxy-2-phenylethanone is sourced from PubChem (CID 114269006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).