3-[(2,4-dibromophenoxy)methyl]oxolane

C11H12Br2O2 — CID 91641548

IUPAC3-[(2,4-dibromophenoxy)methyl]oxolane
SMILESBrc1ccc(OCC2CCOC2)c(Br)c1
InChIInChI=1S/C11H12Br2O2/c12-9-1-2-11(10(13)5-9)15-7-8-3-4-14-6-8/h1-2,5,8H,3-4,6-7H2
InChIKeyGZDBMMSKSRKIFW-UHFFFAOYSA-N
MW336.02 g/mol
LogP3.63
Rot. Bonds3

About 3-[(2,4-dibromophenoxy)methyl]oxolane

3-[(2,4-dibromophenoxy)methyl]oxolane (PubChem CID 91641548) has the molecular formula C11H12Br2O2 and a molecular weight of 336.02 g/mol. Its IUPAC name is 3-[(2,4-dibromophenoxy)methyl]oxolane.

Molecular Properties

Compound Name3-[(2,4-dibromophenoxy)methyl]oxolane
PubChem CID91641548
Molecular FormulaC11H12Br2O2
Molecular Weight336.02 g/mol
Exact Mass333.92
IUPAC Name3-[(2,4-dibromophenoxy)methyl]oxolane
SMILESBrc1ccc(OCC2CCOC2)c(Br)c1
InChIInChI=1S/C11H12Br2O2/c12-9-1-2-11(10(13)5-9)15-7-8-3-4-14-6-8/h1-2,5,8H,3-4,6-7H2
InChIKeyGZDBMMSKSRKIFW-UHFFFAOYSA-N
XLogP3.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.02
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-(oxolan-3-ylmethoxy)aniline
CID 65342327
(1R)-1-[5-bromo-2-(oxolan-3-ylmethoxy)phenyl]ethanol
CID 63365892
1-[5-bromo-2-(oxolan-3-ylmethoxy)phenyl]ethanol
CID 62378836
3-bromo-4-(oxolan-3-ylmethoxy)benzenecarboximidamide
CID 82799234
N-[[3-bromo-4-(oxolan-3-ylmethoxy)phenyl]methyl]propan-2-amine
CID 63045859
3-[3-bromo-4-(oxolan-3-ylmethoxy)phenyl]prop-2-enoic acid
CID 76983070
1-[3-bromo-4-(oxolan-3-ylmethoxy)phenyl]butan-2-amine
CID 63052364
4-[(2-bromo-4-methoxyphenoxy)methyl]oxane
CID 104704638
4-bromo-3-(oxolan-3-ylmethoxy)pyridine
CID 90421245
4-[(5-bromo-2-iodophenoxy)methyl]oxane
CID 175686759
N-[1-[4-bromo-2-(oxolan-3-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 82976457
6-bromo-N-[3-chloro-4-(oxolan-3-ylmethoxy)phenyl]quinazolin-4-amine
CID 166539469

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dibromophenoxy)methyl]oxolane?
The IUPAC name of 3-[(2,4-dibromophenoxy)methyl]oxolane (CID 91641548) is 3-[(2,4-dibromophenoxy)methyl]oxolane.
What is the SMILES notation for 3-[(2,4-dibromophenoxy)methyl]oxolane?
The canonical SMILES for 3-[(2,4-dibromophenoxy)methyl]oxolane is Brc1ccc(OCC2CCOC2)c(Br)c1.
What is the InChIKey of 3-[(2,4-dibromophenoxy)methyl]oxolane?
The InChIKey is GZDBMMSKSRKIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2O2/c12-9-1-2-11(10(13)5-9)15-7-8-3-4-14-6-8/h1-2,5,8H,3-4,6-7H2.
What are the key properties of 3-[(2,4-dibromophenoxy)methyl]oxolane?
3-[(2,4-dibromophenoxy)methyl]oxolane has a molecular weight of 336.02 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dibromophenoxy)methyl]oxolane is sourced from PubChem (CID 91641548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).