2-bromo-1-(3-bromo-2-methoxy-5-methylphenyl)ethanone

C10H10Br2O2 — CID 82630845

IUPAC2-bromo-1-(3-bromo-2-methoxy-5-methylphenyl)ethanone
SMILESCOc1c(Br)cc(C)cc1C(=O)CBr
InChIInChI=1S/C10H10Br2O2/c1-6-3-7(9(13)5-11)10(14-2)8(12)4-6/h3-4H,5H2,1-2H3
InChIKeyLGMKGLSITHKGIU-UHFFFAOYSA-N
MW322.00 g/mol
LogP3.34
Rot. Bonds3

About 2-bromo-1-(3-bromo-2-methoxy-5-methylphenyl)ethanone

2-bromo-1-(3-bromo-2-methoxy-5-methylphenyl)ethanone (PubChem CID 82630845) has the molecular formula C10H10Br2O2 and a molecular weight of 322.00 g/mol. Its IUPAC name is 2-bromo-1-(3-bromo-2-methoxy-5-methylphenyl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(3-bromo-2-methoxy-5-methylphenyl)ethanone
PubChem CID82630845
Molecular FormulaC10H10Br2O2
Molecular Weight322.00 g/mol
Exact Mass319.90
IUPAC Name2-bromo-1-(3-bromo-2-methoxy-5-methylphenyl)ethanone
SMILESCOc1c(Br)cc(C)cc1C(=O)CBr
InChIInChI=1S/C10H10Br2O2/c1-6-3-7(9(13)5-11)10(14-2)8(12)4-6/h3-4H,5H2,1-2H3
InChIKeyLGMKGLSITHKGIU-UHFFFAOYSA-N
XLogP3.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.00
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-(3-bromo-2-methoxy-5-methylphenyl)ethanone
CID 82623539
2-bromo-1-(3-tert-butyl-2-methoxy-5-methylphenyl)ethanone
CID 82490218
2-bromo-1-(3-bromo-2-methoxy-5-nitrophenyl)ethanone
CID 171008067
2-bromo-1-(2-bromo-4-methoxyphenyl)ethanone;2-bromo-1-(2-bromo-4-methylphenyl)ethanone
CID 22121484
(3-bromo-2-methoxy-5-methylphenyl)-pyrrolidin-1-ylmethanone
CID 50883166
2-bromo-1-(2-bromo-5-methylphenyl)ethanone
CID 81117333
(3-bromo-2-methoxy-5-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 50882656
2-bromo-1-(2-bromo-6-fluoro-4-methylphenyl)ethanone
CID 131293210
2-bromo-1-(4-bromo-2,5-dimethoxyphenyl)ethanone
CID 86014406
2-bromo-1-(2-bromo-3-chloro-5-methylphenyl)ethanone
CID 171032809
2-(2-bromoacetyl)-6-methoxy-4-methylbenzonitrile
CID 171027071
1-(3-bromo-5-chloro-2-methoxyphenyl)propan-1-one
CID 82630867

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(3-bromo-2-methoxy-5-methylphenyl)ethanone?
The IUPAC name of 2-bromo-1-(3-bromo-2-methoxy-5-methylphenyl)ethanone (CID 82630845) is 2-bromo-1-(3-bromo-2-methoxy-5-methylphenyl)ethanone.
What is the SMILES notation for 2-bromo-1-(3-bromo-2-methoxy-5-methylphenyl)ethanone?
The canonical SMILES for 2-bromo-1-(3-bromo-2-methoxy-5-methylphenyl)ethanone is COc1c(Br)cc(C)cc1C(=O)CBr.
What is the InChIKey of 2-bromo-1-(3-bromo-2-methoxy-5-methylphenyl)ethanone?
The InChIKey is LGMKGLSITHKGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2O2/c1-6-3-7(9(13)5-11)10(14-2)8(12)4-6/h3-4H,5H2,1-2H3.
What are the key properties of 2-bromo-1-(3-bromo-2-methoxy-5-methylphenyl)ethanone?
2-bromo-1-(3-bromo-2-methoxy-5-methylphenyl)ethanone has a molecular weight of 322.00 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(3-bromo-2-methoxy-5-methylphenyl)ethanone is sourced from PubChem (CID 82630845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).