2-bromo-1-(4-bromo-2,5-dimethoxyphenyl)ethanone

C10H10Br2O3 — CID 86014406

IUPAC2-bromo-1-(4-bromo-2,5-dimethoxyphenyl)ethanone
SMILESCOc1cc(C(=O)CBr)c(OC)cc1Br
InChIInChI=1S/C10H10Br2O3/c1-14-9-4-7(12)10(15-2)3-6(9)8(13)5-11/h3-4H,5H2,1-2H3
InChIKeyDQVKFZDHKLHBDR-UHFFFAOYSA-N
MW338.00 g/mol
LogP3.04
Rot. Bonds4

About 2-bromo-1-(4-bromo-2,5-dimethoxyphenyl)ethanone

2-bromo-1-(4-bromo-2,5-dimethoxyphenyl)ethanone (PubChem CID 86014406) has the molecular formula C10H10Br2O3 and a molecular weight of 338.00 g/mol. Its IUPAC name is 2-bromo-1-(4-bromo-2,5-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(4-bromo-2,5-dimethoxyphenyl)ethanone
PubChem CID86014406
Molecular FormulaC10H10Br2O3
Molecular Weight338.00 g/mol
Exact Mass335.90
IUPAC Name2-bromo-1-(4-bromo-2,5-dimethoxyphenyl)ethanone
SMILESCOc1cc(C(=O)CBr)c(OC)cc1Br
InChIInChI=1S/C10H10Br2O3/c1-14-9-4-7(12)10(15-2)3-6(9)8(13)5-11/h3-4H,5H2,1-2H3
InChIKeyDQVKFZDHKLHBDR-UHFFFAOYSA-N
XLogP3.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.00
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-bromo-1-(4-bromo-2,5-dimethoxyphenyl)ethanone 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-(4-bromo-2,5-dimethoxyphenyl)-2-(4-bromophenyl)ethanone
CID 105056472
2-bromo-1-(5-bromo-2-methoxy-4-nitrophenyl)ethanone
CID 171007933
2-bromo-1-(4,5-dimethoxy-2-methylphenyl)ethanone
CID 15643655
1-(5-bromo-2,4-dimethoxyphenyl)-3-methoxypropan-1-one
CID 82050580
1-(4-bromo-2,5-dimethoxyphenyl)-2,2-difluoroethanone
CID 103513706
2-bromo-1-(3-bromo-4-methoxyphenyl)ethanone
CID 2756849
[5-(2-bromoacetyl)-4-methoxy-2-propan-2-ylphenyl] thiohypoiodite
CID 143114344
methyl 2,4-dibromo-5-methoxybenzoate
CID 155293809
(3-bromo-2-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanone
CID 105056365
2-amino-1-(4-bromo-5-fluoro-2-methoxyphenyl)ethanone
CID 84806885
1-(5-amino-2-fluoro-4-methoxyphenyl)-2-bromoethanone
CID 171018288
(4-bromo-2,5-dimethoxyphenyl)-(3,5-difluorophenyl)methanone
CID 105056470

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(4-bromo-2,5-dimethoxyphenyl)ethanone?
The IUPAC name of 2-bromo-1-(4-bromo-2,5-dimethoxyphenyl)ethanone (CID 86014406) is 2-bromo-1-(4-bromo-2,5-dimethoxyphenyl)ethanone.
What is the SMILES notation for 2-bromo-1-(4-bromo-2,5-dimethoxyphenyl)ethanone?
The canonical SMILES for 2-bromo-1-(4-bromo-2,5-dimethoxyphenyl)ethanone is COc1cc(C(=O)CBr)c(OC)cc1Br.
What is the InChIKey of 2-bromo-1-(4-bromo-2,5-dimethoxyphenyl)ethanone?
The InChIKey is DQVKFZDHKLHBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2O3/c1-14-9-4-7(12)10(15-2)3-6(9)8(13)5-11/h3-4H,5H2,1-2H3.
What are the key properties of 2-bromo-1-(4-bromo-2,5-dimethoxyphenyl)ethanone?
2-bromo-1-(4-bromo-2,5-dimethoxyphenyl)ethanone has a molecular weight of 338.00 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(4-bromo-2,5-dimethoxyphenyl)ethanone is sourced from PubChem (CID 86014406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).