1,3-dibromo-5-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene

C11H12Br2 — CID 159961649

IUPAC1,3-dibromo-5-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene
SMILESC[C@H]1C[C@@H]1Cc1cc(Br)cc(Br)c1
InChIInChI=1S/C11H12Br2/c1-7-2-9(7)3-8-4-10(12)6-11(13)5-8/h4-7,9H,2-3H2,1H3/t7-,9+/m0/s1
InChIKeyODKGRZXPECFZMU-IONNQARKSA-N
MW304.03 g/mol
LogP4.41
Rot. Bonds2

About 1,3-dibromo-5-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene

1,3-dibromo-5-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene (PubChem CID 159961649) has the molecular formula C11H12Br2 and a molecular weight of 304.03 g/mol. Its IUPAC name is 1,3-dibromo-5-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene.

Molecular Properties

Compound Name1,3-dibromo-5-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene
PubChem CID159961649
Molecular FormulaC11H12Br2
Molecular Weight304.03 g/mol
Exact Mass301.93
IUPAC Name1,3-dibromo-5-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene
SMILESC[C@H]1C[C@@H]1Cc1cc(Br)cc(Br)c1
InChIInChI=1S/C11H12Br2/c1-7-2-9(7)3-8-4-10(12)6-11(13)5-8/h4-7,9H,2-3H2,1H3/t7-,9+/m0/s1
InChIKeyODKGRZXPECFZMU-IONNQARKSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.03
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,5-Dibromobiphenyl
CID 3014933
3,3',5,5'-Tetrabromobiphenyl
CID 635340
3,3'-Dibromobiphenyl
CID 153987
3,5-Dibromotoluene
CID 15361
1-Bromo-3-isopropylbenzene
CID 138499
1-Bromo-3-tert-butylbenzene
CID 343798
1-Bromo-4-isopropylbenzene
CID 11462
1-Bromo-4-cyclopropylbenzene
CID 12221355
(2,2-Dibromocyclopropyl)benzene
CID 220379
2-Bromo-4-methyl-1-isopropylbenzene
CID 20555
o-Bromocumene
CID 23475
Benzene, 1-bromo-3-ethyl-
CID 123170

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-5-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene?
The IUPAC name of 1,3-dibromo-5-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene (CID 159961649) is 1,3-dibromo-5-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene.
What is the SMILES notation for 1,3-dibromo-5-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene?
The canonical SMILES for 1,3-dibromo-5-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene is C[C@H]1C[C@@H]1Cc1cc(Br)cc(Br)c1.
What is the InChIKey of 1,3-dibromo-5-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene?
The InChIKey is ODKGRZXPECFZMU-IONNQARKSA-N. The full InChI is InChI=1S/C11H12Br2/c1-7-2-9(7)3-8-4-10(12)6-11(13)5-8/h4-7,9H,2-3H2,1H3/t7-,9+/m0/s1.
What are the key properties of 1,3-dibromo-5-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene?
1,3-dibromo-5-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene has a molecular weight of 304.03 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-5-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene is sourced from PubChem (CID 159961649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).