[(1R)-2,2-dibromo-1-methylcyclopropyl]methoxymethylbenzene

C12H14Br2O — CID 164670270

IUPAC[(1R)-2,2-dibromo-1-methylcyclopropyl]methoxymethylbenzene
SMILESC[C@]1(COCc2ccccc2)CC1(Br)Br
InChIInChI=1S/C12H14Br2O/c1-11(8-12(11,13)14)9-15-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3/t11-/m1/s1
InChIKeyNIYBKRWZZITNON-LLVKDONJSA-N
MW334.05 g/mol
LogP4.10
Rot. Bonds4

About [(1R)-2,2-dibromo-1-methylcyclopropyl]methoxymethylbenzene

[(1R)-2,2-dibromo-1-methylcyclopropyl]methoxymethylbenzene (PubChem CID 164670270) has the molecular formula C12H14Br2O and a molecular weight of 334.05 g/mol. Its IUPAC name is [(1R)-2,2-dibromo-1-methylcyclopropyl]methoxymethylbenzene.

Molecular Properties

Compound Name[(1R)-2,2-dibromo-1-methylcyclopropyl]methoxymethylbenzene
PubChem CID164670270
Molecular FormulaC12H14Br2O
Molecular Weight334.05 g/mol
Exact Mass331.94
IUPAC Name[(1R)-2,2-dibromo-1-methylcyclopropyl]methoxymethylbenzene
SMILESC[C@]1(COCc2ccccc2)CC1(Br)Br
InChIInChI=1S/C12H14Br2O/c1-11(8-12(11,13)14)9-15-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3/t11-/m1/s1
InChIKeyNIYBKRWZZITNON-LLVKDONJSA-N
XLogP4.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.05
LogP ≤ 54.10
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

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3,3-bis(phenylmethoxymethyl)azetidine
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CID 66734377
[4,4-dimethoxy-1-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
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3-ethyl-3-(phenylmethoxymethyl)oxetane
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Frequently Asked Questions

What is the IUPAC name of [(1R)-2,2-dibromo-1-methylcyclopropyl]methoxymethylbenzene?
The IUPAC name of [(1R)-2,2-dibromo-1-methylcyclopropyl]methoxymethylbenzene (CID 164670270) is [(1R)-2,2-dibromo-1-methylcyclopropyl]methoxymethylbenzene.
What is the SMILES notation for [(1R)-2,2-dibromo-1-methylcyclopropyl]methoxymethylbenzene?
The canonical SMILES for [(1R)-2,2-dibromo-1-methylcyclopropyl]methoxymethylbenzene is C[C@]1(COCc2ccccc2)CC1(Br)Br.
What is the InChIKey of [(1R)-2,2-dibromo-1-methylcyclopropyl]methoxymethylbenzene?
The InChIKey is NIYBKRWZZITNON-LLVKDONJSA-N. The full InChI is InChI=1S/C12H14Br2O/c1-11(8-12(11,13)14)9-15-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3/t11-/m1/s1.
What are the key properties of [(1R)-2,2-dibromo-1-methylcyclopropyl]methoxymethylbenzene?
[(1R)-2,2-dibromo-1-methylcyclopropyl]methoxymethylbenzene has a molecular weight of 334.05 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2,2-dibromo-1-methylcyclopropyl]methoxymethylbenzene is sourced from PubChem (CID 164670270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).