2-bromo-1-(3-bromo-2-ethoxyphenyl)propan-1-one

C11H12Br2O2 — CID 134618841

IUPAC2-bromo-1-(3-bromo-2-ethoxyphenyl)propan-1-one
SMILESCCOc1c(Br)cccc1C(=O)C(C)Br
InChIInChI=1S/C11H12Br2O2/c1-3-15-11-8(10(14)7(2)12)5-4-6-9(11)13/h4-7H,3H2,1-2H3
InChIKeyHYJTYNWKYXDXIA-UHFFFAOYSA-N
MW336.02 g/mol
LogP3.81
Rot. Bonds4

About 2-bromo-1-(3-bromo-2-ethoxyphenyl)propan-1-one

2-bromo-1-(3-bromo-2-ethoxyphenyl)propan-1-one (PubChem CID 134618841) has the molecular formula C11H12Br2O2 and a molecular weight of 336.02 g/mol. Its IUPAC name is 2-bromo-1-(3-bromo-2-ethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-bromo-1-(3-bromo-2-ethoxyphenyl)propan-1-one
PubChem CID134618841
Molecular FormulaC11H12Br2O2
Molecular Weight336.02 g/mol
Exact Mass333.92
IUPAC Name2-bromo-1-(3-bromo-2-ethoxyphenyl)propan-1-one
SMILESCCOc1c(Br)cccc1C(=O)C(C)Br
InChIInChI=1S/C11H12Br2O2/c1-3-15-11-8(10(14)7(2)12)5-4-6-9(11)13/h4-7H,3H2,1-2H3
InChIKeyHYJTYNWKYXDXIA-UHFFFAOYSA-N
XLogP3.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.02
LogP ≤ 53.81
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-bromo-1-(2-ethoxy-3-ethylphenyl)propan-1-one
CID 134618685
2-bromo-1-(2-ethoxy-3-methoxyphenyl)propan-1-one
CID 134618688
2-bromo-1-(2-ethoxy-3-methylsulfanylphenyl)propan-1-one
CID 134618681
2-bromo-1-[2-ethoxy-3-(trifluoromethoxy)phenyl]propan-1-one
CID 134618682
2-bromo-1-(3-ethoxy-2-fluorophenyl)propan-1-one
CID 134618855
3-bromo-2-ethoxybenzenethiol
CID 91874337
2-bromo-1-(2-ethoxy-5-fluorophenyl)propan-1-one
CID 134618705
ethyl 3-(2-bromopropanoyl)-2-(hydroxymethyl)benzoate
CID 134642750
ethyl 2-[3-(2-bromopropanoyl)-2-methylphenyl]acetate
CID 134614855
ethyl 2-(2-bromopropanoyl)-6-fluorobenzoate
CID 134644419
2-bromo-1-[2-(difluoromethoxy)-3-(difluoromethyl)phenyl]propan-1-one
CID 134618580
3-(3-bromo-2-ethoxyphenyl)prop-2-enoic acid
CID 61392204

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(3-bromo-2-ethoxyphenyl)propan-1-one?
The IUPAC name of 2-bromo-1-(3-bromo-2-ethoxyphenyl)propan-1-one (CID 134618841) is 2-bromo-1-(3-bromo-2-ethoxyphenyl)propan-1-one.
What is the SMILES notation for 2-bromo-1-(3-bromo-2-ethoxyphenyl)propan-1-one?
The canonical SMILES for 2-bromo-1-(3-bromo-2-ethoxyphenyl)propan-1-one is CCOc1c(Br)cccc1C(=O)C(C)Br.
What is the InChIKey of 2-bromo-1-(3-bromo-2-ethoxyphenyl)propan-1-one?
The InChIKey is HYJTYNWKYXDXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2O2/c1-3-15-11-8(10(14)7(2)12)5-4-6-9(11)13/h4-7H,3H2,1-2H3.
What are the key properties of 2-bromo-1-(3-bromo-2-ethoxyphenyl)propan-1-one?
2-bromo-1-(3-bromo-2-ethoxyphenyl)propan-1-one has a molecular weight of 336.02 g/mol, XLogP of 3.81, 4 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-ethoxyphenyl)propan-1-one is sourced from PubChem (CID 134618841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).