2-bromo-1-(3-bromo-4-ethylphenyl)ethanone

C10H10Br2O — CID 82124816

IUPAC2-bromo-1-(3-bromo-4-ethylphenyl)ethanone
SMILESCCc1ccc(C(=O)CBr)cc1Br
InChIInChI=1S/C10H10Br2O/c1-2-7-3-4-8(5-9(7)12)10(13)6-11/h3-5H,2,6H2,1H3
InChIKeyMKXRTTNZIKGLIU-UHFFFAOYSA-N
MW306.00 g/mol
LogP3.59
Rot. Bonds3

About 2-bromo-1-(3-bromo-4-ethylphenyl)ethanone

2-bromo-1-(3-bromo-4-ethylphenyl)ethanone (PubChem CID 82124816) has the molecular formula C10H10Br2O and a molecular weight of 306.00 g/mol. Its IUPAC name is 2-bromo-1-(3-bromo-4-ethylphenyl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(3-bromo-4-ethylphenyl)ethanone
PubChem CID82124816
Molecular FormulaC10H10Br2O
Molecular Weight306.00 g/mol
Exact Mass303.91
IUPAC Name2-bromo-1-(3-bromo-4-ethylphenyl)ethanone
SMILESCCc1ccc(C(=O)CBr)cc1Br
InChIInChI=1S/C10H10Br2O/c1-2-7-3-4-8(5-9(7)12)10(13)6-11/h3-5H,2,6H2,1H3
InChIKeyMKXRTTNZIKGLIU-UHFFFAOYSA-N
XLogP3.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.00
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-[4-ethyl-3-(trifluoromethyl)phenyl]ethanone
CID 91882617
2-bromo-1-(3-bromo-4-fluorophenyl)ethanone
CID 2782783
2-bromo-1-(3-bromo-4-methoxyphenyl)ethanone
CID 2756849
N-[2-bromo-4-(2-bromoacetyl)phenyl]acetamide
CID 14617327
2-bromo-1-(3-bromo-4-methylphenyl)ethanone;1-(3-bromo-4-methylphenyl)ethanone
CID 159915829
(E)-3-(3-bromo-4-ethylphenyl)pent-2-enoic acid
CID 83949804
ethyl 2-[2-bromo-4-(3-bromopropanoyl)phenyl]acetate
CID 134631936
2-bromo-1-(4-hydroxy-3-propylphenyl)ethanone
CID 22641008
2-bromo-1-[4-(hydroxymethyl)-3-methoxyphenyl]ethanone
CID 87613881
2-bromo-1-(4-fluoro-3-hydroxyphenyl)ethanone
CID 126970439
2-bromo-1-(4-hydroxy-3-methylphenyl)ethanone
CID 11218449
1-[4-[4-(2-bromoacetyl)phenyl]phenyl]propan-1-one
CID 123680970

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(3-bromo-4-ethylphenyl)ethanone?
The IUPAC name of 2-bromo-1-(3-bromo-4-ethylphenyl)ethanone (CID 82124816) is 2-bromo-1-(3-bromo-4-ethylphenyl)ethanone.
What is the SMILES notation for 2-bromo-1-(3-bromo-4-ethylphenyl)ethanone?
The canonical SMILES for 2-bromo-1-(3-bromo-4-ethylphenyl)ethanone is CCc1ccc(C(=O)CBr)cc1Br.
What is the InChIKey of 2-bromo-1-(3-bromo-4-ethylphenyl)ethanone?
The InChIKey is MKXRTTNZIKGLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2O/c1-2-7-3-4-8(5-9(7)12)10(13)6-11/h3-5H,2,6H2,1H3.
What are the key properties of 2-bromo-1-(3-bromo-4-ethylphenyl)ethanone?
2-bromo-1-(3-bromo-4-ethylphenyl)ethanone has a molecular weight of 306.00 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(3-bromo-4-ethylphenyl)ethanone is sourced from PubChem (CID 82124816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).