2-[[2-(dibromomethyl)phenyl]methyl]oxirane

C10H10Br2O — CID 71442206

IUPAC2-[[2-(dibromomethyl)phenyl]methyl]oxirane
SMILESBrC(Br)c1ccccc1CC1CO1
InChIInChI=1S/C10H10Br2O/c11-10(12)9-4-2-1-3-7(9)5-8-6-13-8/h1-4,8,10H,5-6H2
InChIKeyXMZJHMROBMYMAH-UHFFFAOYSA-N
MW306.00 g/mol
LogP3.42
Rot. Bonds3

About 2-[[2-(dibromomethyl)phenyl]methyl]oxirane

2-[[2-(dibromomethyl)phenyl]methyl]oxirane (PubChem CID 71442206) has the molecular formula C10H10Br2O and a molecular weight of 306.00 g/mol. Its IUPAC name is 2-[[2-(dibromomethyl)phenyl]methyl]oxirane.

Molecular Properties

Compound Name2-[[2-(dibromomethyl)phenyl]methyl]oxirane
PubChem CID71442206
Molecular FormulaC10H10Br2O
Molecular Weight306.00 g/mol
Exact Mass303.91
IUPAC Name2-[[2-(dibromomethyl)phenyl]methyl]oxirane
SMILESBrC(Br)c1ccccc1CC1CO1
InChIInChI=1S/C10H10Br2O/c11-10(12)9-4-2-1-3-7(9)5-8-6-13-8/h1-4,8,10H,5-6H2
InChIKeyXMZJHMROBMYMAH-UHFFFAOYSA-N
XLogP3.42
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.00
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dibromomethyl)phenyl]methyl]oxirane?
The IUPAC name of 2-[[2-(dibromomethyl)phenyl]methyl]oxirane (CID 71442206) is 2-[[2-(dibromomethyl)phenyl]methyl]oxirane.
What is the SMILES notation for 2-[[2-(dibromomethyl)phenyl]methyl]oxirane?
The canonical SMILES for 2-[[2-(dibromomethyl)phenyl]methyl]oxirane is BrC(Br)c1ccccc1CC1CO1.
What is the InChIKey of 2-[[2-(dibromomethyl)phenyl]methyl]oxirane?
The InChIKey is XMZJHMROBMYMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2O/c11-10(12)9-4-2-1-3-7(9)5-8-6-13-8/h1-4,8,10H,5-6H2.
What are the key properties of 2-[[2-(dibromomethyl)phenyl]methyl]oxirane?
2-[[2-(dibromomethyl)phenyl]methyl]oxirane has a molecular weight of 306.00 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dibromomethyl)phenyl]methyl]oxirane is sourced from PubChem (CID 71442206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).