(2,5-dibromo-4-methylphenyl)-(2,2-dimethylcyclopropyl)methanone

C13H14Br2O — CID 107000802

IUPAC(2,5-dibromo-4-methylphenyl)-(2,2-dimethylcyclopropyl)methanone
SMILESCc1cc(Br)c(C(=O)C2CC2(C)C)cc1Br
InChIInChI=1S/C13H14Br2O/c1-7-4-11(15)8(5-10(7)14)12(16)9-6-13(9,2)3/h4-5,9H,6H2,1-3H3
InChIKeyFXFUEWZHFYXDCV-UHFFFAOYSA-N
MW346.06 g/mol
LogP4.75
Rot. Bonds2

About (2,5-dibromo-4-methylphenyl)-(2,2-dimethylcyclopropyl)methanone

(2,5-dibromo-4-methylphenyl)-(2,2-dimethylcyclopropyl)methanone (PubChem CID 107000802) has the molecular formula C13H14Br2O and a molecular weight of 346.06 g/mol. Its IUPAC name is (2,5-dibromo-4-methylphenyl)-(2,2-dimethylcyclopropyl)methanone.

Molecular Properties

Compound Name(2,5-dibromo-4-methylphenyl)-(2,2-dimethylcyclopropyl)methanone
PubChem CID107000802
Molecular FormulaC13H14Br2O
Molecular Weight346.06 g/mol
Exact Mass343.94
IUPAC Name(2,5-dibromo-4-methylphenyl)-(2,2-dimethylcyclopropyl)methanone
SMILESCc1cc(Br)c(C(=O)C2CC2(C)C)cc1Br
InChIInChI=1S/C13H14Br2O/c1-7-4-11(15)8(5-10(7)14)12(16)9-6-13(9,2)3/h4-5,9H,6H2,1-3H3
InChIKeyFXFUEWZHFYXDCV-UHFFFAOYSA-N
XLogP4.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.06
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,2-dimethylcyclopropyl)-(2,4,5-trimethylphenyl)methanone
CID 107003910
(2-chloro-4,5-dimethylphenyl)-(2,2-dimethylcyclopropyl)methanone
CID 107000808
(2,5-dibromo-4-methylphenyl)-(2-methylcyclopentyl)methanone
CID 107176655
(2,5-dibromo-4-methylphenyl)-piperidin-2-ylmethanone
CID 81473912
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,5-dibromo-4-methylphenyl)methanone
CID 81468479
(2,5-dibromo-4-methylphenyl)-piperidin-3-ylmethanone
CID 81473911
1-(2,5-dibromo-4-methylphenyl)-2,2-dimethylpropan-1-one
CID 81468584
1-(2,5-dibromo-4-methylphenyl)-2,3-dimethylbutan-1-one
CID 81474226
(2-amino-5-methyl-3-pyridinyl)-(2,2-dimethylcyclopropyl)methanone
CID 107925462
(2,5-dichlorothiophen-3-yl)-(2,2-dimethylcyclopropyl)methanone
CID 107000721
(3-bromofuran-2-yl)-(2,2-dimethylcyclopropyl)methanone
CID 107003890
2-chloro-1-(2,5-dibromo-4-methylphenyl)propan-1-one
CID 81468478

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromo-4-methylphenyl)-(2,2-dimethylcyclopropyl)methanone?
The IUPAC name of (2,5-dibromo-4-methylphenyl)-(2,2-dimethylcyclopropyl)methanone (CID 107000802) is (2,5-dibromo-4-methylphenyl)-(2,2-dimethylcyclopropyl)methanone.
What is the SMILES notation for (2,5-dibromo-4-methylphenyl)-(2,2-dimethylcyclopropyl)methanone?
The canonical SMILES for (2,5-dibromo-4-methylphenyl)-(2,2-dimethylcyclopropyl)methanone is Cc1cc(Br)c(C(=O)C2CC2(C)C)cc1Br.
What is the InChIKey of (2,5-dibromo-4-methylphenyl)-(2,2-dimethylcyclopropyl)methanone?
The InChIKey is FXFUEWZHFYXDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2O/c1-7-4-11(15)8(5-10(7)14)12(16)9-6-13(9,2)3/h4-5,9H,6H2,1-3H3.
What are the key properties of (2,5-dibromo-4-methylphenyl)-(2,2-dimethylcyclopropyl)methanone?
(2,5-dibromo-4-methylphenyl)-(2,2-dimethylcyclopropyl)methanone has a molecular weight of 346.06 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromo-4-methylphenyl)-(2,2-dimethylcyclopropyl)methanone is sourced from PubChem (CID 107000802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).