2-bromo-1-(4-bromo-3-methylphenyl)propan-1-one

C10H10Br2O — CID 44542806

IUPAC2-bromo-1-(4-bromo-3-methylphenyl)propan-1-one
SMILESCc1cc(C(=O)C(C)Br)ccc1Br
InChIInChI=1S/C10H10Br2O/c1-6-5-8(3-4-9(6)12)10(13)7(2)11/h3-5,7H,1-2H3
InChIKeyJVNNBFZFBSCCEH-UHFFFAOYSA-N
MW306.00 g/mol
LogP3.72
Rot. Bonds2

About 2-bromo-1-(4-bromo-3-methylphenyl)propan-1-one

2-bromo-1-(4-bromo-3-methylphenyl)propan-1-one (PubChem CID 44542806) has the molecular formula C10H10Br2O and a molecular weight of 306.00 g/mol. Its IUPAC name is 2-bromo-1-(4-bromo-3-methylphenyl)propan-1-one.

Molecular Properties

Compound Name2-bromo-1-(4-bromo-3-methylphenyl)propan-1-one
PubChem CID44542806
Molecular FormulaC10H10Br2O
Molecular Weight306.00 g/mol
Exact Mass303.91
IUPAC Name2-bromo-1-(4-bromo-3-methylphenyl)propan-1-one
SMILESCc1cc(C(=O)C(C)Br)ccc1Br
InChIInChI=1S/C10H10Br2O/c1-6-5-8(3-4-9(6)12)10(13)7(2)11/h3-5,7H,1-2H3
InChIKeyJVNNBFZFBSCCEH-UHFFFAOYSA-N
XLogP3.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.00
LogP ≤ 53.72
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

1-(4-bromo-3-methylphenyl)-2-methylpentane-1,4-dione
CID 66480813
4-(2-bromopropanoyl)-2-methylbenzaldehyde
CID 130851553
2-bromo-5-(2-bromopropanoyl)benzaldehyde
CID 130894877
2-bromo-1-[4-(chloromethyl)-3-methylphenyl]propan-1-one
CID 130882854
1-(4-bromo-3-methylphenyl)-2-propylpentan-1-one
CID 146010752
4-(4-bromo-3-methylphenyl)-3-methyl-4-oxobutanenitrile
CID 66480613
2-bromo-1-[4-(difluoromethoxy)-3-methylphenyl]propan-1-one
CID 135743391
1-(4-bromo-3-methylphenyl)-2-piperazin-1-ylpropan-1-one
CID 82264459
1-(4-bromo-3-methylphenyl)-3,5,5-trimethylhexan-1-one
CID 146010754
4-bromo-3-(2-bromopropanoyl)benzoic acid
CID 118845379
1-(4-bromo-3-methylphenyl)ethanone;nitrous acid
CID 174888398
2-bromo-N-(4-bromo-3-methylphenyl)propanamide
CID 12708491

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(4-bromo-3-methylphenyl)propan-1-one?
The IUPAC name of 2-bromo-1-(4-bromo-3-methylphenyl)propan-1-one (CID 44542806) is 2-bromo-1-(4-bromo-3-methylphenyl)propan-1-one.
What is the SMILES notation for 2-bromo-1-(4-bromo-3-methylphenyl)propan-1-one?
The canonical SMILES for 2-bromo-1-(4-bromo-3-methylphenyl)propan-1-one is Cc1cc(C(=O)C(C)Br)ccc1Br.
What is the InChIKey of 2-bromo-1-(4-bromo-3-methylphenyl)propan-1-one?
The InChIKey is JVNNBFZFBSCCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2O/c1-6-5-8(3-4-9(6)12)10(13)7(2)11/h3-5,7H,1-2H3.
What are the key properties of 2-bromo-1-(4-bromo-3-methylphenyl)propan-1-one?
2-bromo-1-(4-bromo-3-methylphenyl)propan-1-one has a molecular weight of 306.00 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(4-bromo-3-methylphenyl)propan-1-one is sourced from PubChem (CID 44542806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).