4-[[1-bromo-2-(2-bromophenyl)propan-2-yl]oxymethyl]oxane

C15H20Br2O2 — CID 114774076

IUPAC4-[[1-bromo-2-(2-bromophenyl)propan-2-yl]oxymethyl]oxane
SMILESCC(CBr)(OCC1CCOCC1)c1ccccc1Br
InChIInChI=1S/C15H20Br2O2/c1-15(11-16,13-4-2-3-5-14(13)17)19-10-12-6-8-18-9-7-12/h2-5,12H,6-11H2,1H3
InChIKeyUIZGWSUSEZPJEA-UHFFFAOYSA-N
MW392.13 g/mol
LogP4.50
Rot. Bonds5

About 4-[[1-bromo-2-(2-bromophenyl)propan-2-yl]oxymethyl]oxane

4-[[1-bromo-2-(2-bromophenyl)propan-2-yl]oxymethyl]oxane (PubChem CID 114774076) has the molecular formula C15H20Br2O2 and a molecular weight of 392.13 g/mol. Its IUPAC name is 4-[[1-bromo-2-(2-bromophenyl)propan-2-yl]oxymethyl]oxane.

Molecular Properties

Compound Name4-[[1-bromo-2-(2-bromophenyl)propan-2-yl]oxymethyl]oxane
PubChem CID114774076
Molecular FormulaC15H20Br2O2
Molecular Weight392.13 g/mol
Exact Mass389.98
IUPAC Name4-[[1-bromo-2-(2-bromophenyl)propan-2-yl]oxymethyl]oxane
SMILESCC(CBr)(OCC1CCOCC1)c1ccccc1Br
InChIInChI=1S/C15H20Br2O2/c1-15(11-16,13-4-2-3-5-14(13)17)19-10-12-6-8-18-9-7-12/h2-5,12H,6-11H2,1H3
InChIKeyUIZGWSUSEZPJEA-UHFFFAOYSA-N
XLogP4.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.13
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-bromo-2-(2-bromophenyl)propan-2-yl]oxymethyl]oxane?
The IUPAC name of 4-[[1-bromo-2-(2-bromophenyl)propan-2-yl]oxymethyl]oxane (CID 114774076) is 4-[[1-bromo-2-(2-bromophenyl)propan-2-yl]oxymethyl]oxane.
What is the SMILES notation for 4-[[1-bromo-2-(2-bromophenyl)propan-2-yl]oxymethyl]oxane?
The canonical SMILES for 4-[[1-bromo-2-(2-bromophenyl)propan-2-yl]oxymethyl]oxane is CC(CBr)(OCC1CCOCC1)c1ccccc1Br.
What is the InChIKey of 4-[[1-bromo-2-(2-bromophenyl)propan-2-yl]oxymethyl]oxane?
The InChIKey is UIZGWSUSEZPJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Br2O2/c1-15(11-16,13-4-2-3-5-14(13)17)19-10-12-6-8-18-9-7-12/h2-5,12H,6-11H2,1H3.
What are the key properties of 4-[[1-bromo-2-(2-bromophenyl)propan-2-yl]oxymethyl]oxane?
4-[[1-bromo-2-(2-bromophenyl)propan-2-yl]oxymethyl]oxane has a molecular weight of 392.13 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-bromo-2-(2-bromophenyl)propan-2-yl]oxymethyl]oxane is sourced from PubChem (CID 114774076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).