2-[[4-(dibromomethyl)phenoxy]methyl]oxirane

C10H10Br2O2 — CID 87292739

IUPAC2-[[4-(dibromomethyl)phenoxy]methyl]oxirane
SMILESBrC(Br)c1ccc(OCC2CO2)cc1
InChIInChI=1S/C10H10Br2O2/c11-10(12)7-1-3-8(4-2-7)13-5-9-6-14-9/h1-4,9-10H,5-6H2
InChIKeyIKHZGKCAPRUOTC-UHFFFAOYSA-N
MW322.00 g/mol
LogP3.25
Rot. Bonds4

About 2-[[4-(dibromomethyl)phenoxy]methyl]oxirane

2-[[4-(dibromomethyl)phenoxy]methyl]oxirane (PubChem CID 87292739) has the molecular formula C10H10Br2O2 and a molecular weight of 322.00 g/mol. Its IUPAC name is 2-[[4-(dibromomethyl)phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[4-(dibromomethyl)phenoxy]methyl]oxirane
PubChem CID87292739
Molecular FormulaC10H10Br2O2
Molecular Weight322.00 g/mol
Exact Mass319.90
IUPAC Name2-[[4-(dibromomethyl)phenoxy]methyl]oxirane
SMILESBrC(Br)c1ccc(OCC2CO2)cc1
InChIInChI=1S/C10H10Br2O2/c11-10(12)7-1-3-8(4-2-7)13-5-9-6-14-9/h1-4,9-10H,5-6H2
InChIKeyIKHZGKCAPRUOTC-UHFFFAOYSA-N
XLogP3.25
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.00
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
2-[[4-(2,2,4,4-tetramethylpentan-3-yl)phenoxy]methyl]oxirane
CID 123506072
2-[[4-(1-methoxyethyl)phenoxy]methyl]oxirane
CID 22359743
2-[[4-(2,5,5-trimethylhexan-3-yl)phenoxy]methyl]oxirane
CID 123926439
2-[[4-[2,2-bis(4-butoxyphenyl)-1-[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane
CID 118013692
2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 146313445
bis[4-(oxiran-2-ylmethoxy)phenyl]diazene
CID 4055525
1,3-bis[4-(oxiran-2-ylmethoxy)phenoxy]propan-2-ol
CID 59079287
2-[[2-(oxiran-2-ylmethoxy)-1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]methyl]oxirane
CID 175751698
methane;4-(oxiran-2-ylmethoxy)phenol
CID 159818409
2-[4-[bis[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]oxetane
CID 130316322
2-[(4-methylphenoxy)methyl]oxirane;propane
CID 90972730

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dibromomethyl)phenoxy]methyl]oxirane?
The IUPAC name of 2-[[4-(dibromomethyl)phenoxy]methyl]oxirane (CID 87292739) is 2-[[4-(dibromomethyl)phenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[4-(dibromomethyl)phenoxy]methyl]oxirane?
The canonical SMILES for 2-[[4-(dibromomethyl)phenoxy]methyl]oxirane is BrC(Br)c1ccc(OCC2CO2)cc1.
What is the InChIKey of 2-[[4-(dibromomethyl)phenoxy]methyl]oxirane?
The InChIKey is IKHZGKCAPRUOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2O2/c11-10(12)7-1-3-8(4-2-7)13-5-9-6-14-9/h1-4,9-10H,5-6H2.
What are the key properties of 2-[[4-(dibromomethyl)phenoxy]methyl]oxirane?
2-[[4-(dibromomethyl)phenoxy]methyl]oxirane has a molecular weight of 322.00 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dibromomethyl)phenoxy]methyl]oxirane is sourced from PubChem (CID 87292739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).