2-bromo-1-(3-bromophenyl)-2-methylpropan-1-one

C10H10Br2O — CID 95403688

IUPAC2-bromo-1-(3-bromophenyl)-2-methylpropan-1-one
SMILESCC(C)(Br)C(=O)c1cccc(Br)c1
InChIInChI=1S/C10H10Br2O/c1-10(2,12)9(13)7-4-3-5-8(11)6-7/h3-6H,1-2H3
InChIKeyTUCFQUBRQHWGHW-UHFFFAOYSA-N
MW306.00 g/mol
LogP3.81
Rot. Bonds2

About 2-bromo-1-(3-bromophenyl)-2-methylpropan-1-one

2-bromo-1-(3-bromophenyl)-2-methylpropan-1-one (PubChem CID 95403688) has the molecular formula C10H10Br2O and a molecular weight of 306.00 g/mol. Its IUPAC name is 2-bromo-1-(3-bromophenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-bromo-1-(3-bromophenyl)-2-methylpropan-1-one
PubChem CID95403688
Molecular FormulaC10H10Br2O
Molecular Weight306.00 g/mol
Exact Mass303.91
IUPAC Name2-bromo-1-(3-bromophenyl)-2-methylpropan-1-one
SMILESCC(C)(Br)C(=O)c1cccc(Br)c1
InChIInChI=1S/C10H10Br2O/c1-10(2,12)9(13)7-4-3-5-8(11)6-7/h3-6H,1-2H3
InChIKeyTUCFQUBRQHWGHW-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
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

3-bromobenzoic acid;ethane
CID 143530590
CID 6368102
CID 6368102
1-(3-bromophenyl)propan-1-one;ethane
CID 145351715
3-bromo-N-(3,3-dimethylbutan-2-yl)benzamide
CID 3434311
1-(3-bromophenyl)-2-tert-butylsulfanylethanone
CID 43218967
3-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide
CID 113347743
2-[(3-bromobenzoyl)amino]-2-methylpropanoic acid
CID 61262617
1-(3-bromophenyl)butan-1-one
CID 18417701
3-bromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 103772540
3-bromo-N-(3-hydroxy-2-methylbutan-2-yl)benzamide
CID 115884425
disodium;boric acid;3-bromobenzoic acid;hydride;dihydrate
CID 175571089
1-(3-bromophenyl)-2-(1H-pyrrol-3-yl)ethane-1,2-dione
CID 59772668

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(3-bromophenyl)-2-methylpropan-1-one?
The IUPAC name of 2-bromo-1-(3-bromophenyl)-2-methylpropan-1-one (CID 95403688) is 2-bromo-1-(3-bromophenyl)-2-methylpropan-1-one.
What is the SMILES notation for 2-bromo-1-(3-bromophenyl)-2-methylpropan-1-one?
The canonical SMILES for 2-bromo-1-(3-bromophenyl)-2-methylpropan-1-one is CC(C)(Br)C(=O)c1cccc(Br)c1.
What is the InChIKey of 2-bromo-1-(3-bromophenyl)-2-methylpropan-1-one?
The InChIKey is TUCFQUBRQHWGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2O/c1-10(2,12)9(13)7-4-3-5-8(11)6-7/h3-6H,1-2H3.
What are the key properties of 2-bromo-1-(3-bromophenyl)-2-methylpropan-1-one?
2-bromo-1-(3-bromophenyl)-2-methylpropan-1-one has a molecular weight of 306.00 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(3-bromophenyl)-2-methylpropan-1-one is sourced from PubChem (CID 95403688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).