3-[1-bromo-2-(3-bromophenyl)ethyl]-2,4,5-trimethyloxolane

C15H20Br2O — CID 65159640

IUPAC3-[1-bromo-2-(3-bromophenyl)ethyl]-2,4,5-trimethyloxolane
SMILESCC1OC(C)C(C(Br)Cc2cccc(Br)c2)C1C
InChIInChI=1S/C15H20Br2O/c1-9-10(2)18-11(3)15(9)14(17)8-12-5-4-6-13(16)7-12/h4-7,9-11,14-15H,8H2,1-3H3
InChIKeyJGMWKJGHGAFYFW-UHFFFAOYSA-N
MW376.13 g/mol
LogP4.81
Rot. Bonds3

About 3-[1-bromo-2-(3-bromophenyl)ethyl]-2,4,5-trimethyloxolane

3-[1-bromo-2-(3-bromophenyl)ethyl]-2,4,5-trimethyloxolane (PubChem CID 65159640) has the molecular formula C15H20Br2O and a molecular weight of 376.13 g/mol. Its IUPAC name is 3-[1-bromo-2-(3-bromophenyl)ethyl]-2,4,5-trimethyloxolane.

Molecular Properties

Compound Name3-[1-bromo-2-(3-bromophenyl)ethyl]-2,4,5-trimethyloxolane
PubChem CID65159640
Molecular FormulaC15H20Br2O
Molecular Weight376.13 g/mol
Exact Mass373.99
IUPAC Name3-[1-bromo-2-(3-bromophenyl)ethyl]-2,4,5-trimethyloxolane
SMILESCC1OC(C)C(C(Br)Cc2cccc(Br)c2)C1C
InChIInChI=1S/C15H20Br2O/c1-9-10(2)18-11(3)15(9)14(17)8-12-5-4-6-13(16)7-12/h4-7,9-11,14-15H,8H2,1-3H3
InChIKeyJGMWKJGHGAFYFW-UHFFFAOYSA-N
XLogP4.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.13
LogP ≤ 54.81
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

2-(3-bromophenyl)-N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 65155889
3-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-2,4,5-trimethyloxolane
CID 65159334
1-bromo-3-[2-bromo-2-(2,2,3,3-tetramethylcyclopropyl)ethyl]benzene
CID 66478431
1-bromo-3-[2-bromo-2-(2-methylcyclopentyl)ethyl]benzene
CID 107183721
1-bromo-3-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]benzene
CID 107003144
2-(3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 65155838
[1-bromo-2-(3-bromophenyl)ethyl]cycloheptane
CID 63531421
2-(4-bromophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 65155737
1-bromo-3-(2-bromo-3,3-dimethylbutyl)benzene
CID 63530904
2-(3-bromo-5-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol
CID 115822702
1-bromo-3-(2,2-dimethoxyethyl)benzene;ethane
CID 143308934
1-bromo-3-[2-chloro-2-(2-methylcyclopentyl)ethyl]benzene
CID 107183607

Frequently Asked Questions

What is the IUPAC name of 3-[1-bromo-2-(3-bromophenyl)ethyl]-2,4,5-trimethyloxolane?
The IUPAC name of 3-[1-bromo-2-(3-bromophenyl)ethyl]-2,4,5-trimethyloxolane (CID 65159640) is 3-[1-bromo-2-(3-bromophenyl)ethyl]-2,4,5-trimethyloxolane.
What is the SMILES notation for 3-[1-bromo-2-(3-bromophenyl)ethyl]-2,4,5-trimethyloxolane?
The canonical SMILES for 3-[1-bromo-2-(3-bromophenyl)ethyl]-2,4,5-trimethyloxolane is CC1OC(C)C(C(Br)Cc2cccc(Br)c2)C1C.
What is the InChIKey of 3-[1-bromo-2-(3-bromophenyl)ethyl]-2,4,5-trimethyloxolane?
The InChIKey is JGMWKJGHGAFYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Br2O/c1-9-10(2)18-11(3)15(9)14(17)8-12-5-4-6-13(16)7-12/h4-7,9-11,14-15H,8H2,1-3H3.
What are the key properties of 3-[1-bromo-2-(3-bromophenyl)ethyl]-2,4,5-trimethyloxolane?
3-[1-bromo-2-(3-bromophenyl)ethyl]-2,4,5-trimethyloxolane has a molecular weight of 376.13 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-bromo-2-(3-bromophenyl)ethyl]-2,4,5-trimethyloxolane is sourced from PubChem (CID 65159640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).