2-[2-[3-(bromomethyl)phenoxy]ethyl]oxolane

C13H17BrO2 — CID 65163188

IUPAC2-[2-[3-(bromomethyl)phenoxy]ethyl]oxolane
SMILESBrCc1cccc(OCCC2CCCO2)c1
InChIInChI=1S/C13H17BrO2/c14-10-11-3-1-4-13(9-11)16-8-6-12-5-2-7-15-12/h1,3-4,9,12H,2,5-8,10H2
InChIKeySVNBZMNSAATSBY-UHFFFAOYSA-N
MW285.18 g/mol
LogP3.53
Rot. Bonds5

About 2-[2-[3-(bromomethyl)phenoxy]ethyl]oxolane

2-[2-[3-(bromomethyl)phenoxy]ethyl]oxolane (PubChem CID 65163188) has the molecular formula C13H17BrO2 and a molecular weight of 285.18 g/mol. Its IUPAC name is 2-[2-[3-(bromomethyl)phenoxy]ethyl]oxolane.

Molecular Properties

Compound Name2-[2-[3-(bromomethyl)phenoxy]ethyl]oxolane
PubChem CID65163188
Molecular FormulaC13H17BrO2
Molecular Weight285.18 g/mol
Exact Mass284.04
IUPAC Name2-[2-[3-(bromomethyl)phenoxy]ethyl]oxolane
SMILESBrCc1cccc(OCCC2CCCO2)c1
InChIInChI=1S/C13H17BrO2/c14-10-11-3-1-4-13(9-11)16-8-6-12-5-2-7-15-12/h1,3-4,9,12H,2,5-8,10H2
InChIKeySVNBZMNSAATSBY-UHFFFAOYSA-N
XLogP3.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]cyclopropanamine
CID 65158588
2-[2-[4-(bromomethyl)-2-fluorophenoxy]ethyl]oxolane
CID 107691831
2-[3-[2-(oxolan-2-yl)ethoxy]phenoxy]pyrimidine
CID 126772483
2-methyl-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-2-amine
CID 65158699
2-[2-(4-bromophenoxy)ethyl]oxolane
CID 65161274
2-methoxy-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]ethanamine
CID 65158746
[3-(oxolan-2-ylmethoxy)phenyl]methanol
CID 43199011
1-(bromomethyl)-3-[4-[3-(bromomethyl)phenoxy]butoxy]benzene
CID 71444905
1-(4-bromobutoxy)-3-(bromomethyl)benzene
CID 177328474
5-[2-(oxolan-2-yl)ethoxy]-1H-indole
CID 80643511
N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43278533
2-[2-(3-bromophenoxy)ethoxymethyl]oxolane
CID 54970515

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(bromomethyl)phenoxy]ethyl]oxolane?
The IUPAC name of 2-[2-[3-(bromomethyl)phenoxy]ethyl]oxolane (CID 65163188) is 2-[2-[3-(bromomethyl)phenoxy]ethyl]oxolane.
What is the SMILES notation for 2-[2-[3-(bromomethyl)phenoxy]ethyl]oxolane?
The canonical SMILES for 2-[2-[3-(bromomethyl)phenoxy]ethyl]oxolane is BrCc1cccc(OCCC2CCCO2)c1.
What is the InChIKey of 2-[2-[3-(bromomethyl)phenoxy]ethyl]oxolane?
The InChIKey is SVNBZMNSAATSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO2/c14-10-11-3-1-4-13(9-11)16-8-6-12-5-2-7-15-12/h1,3-4,9,12H,2,5-8,10H2.
What are the key properties of 2-[2-[3-(bromomethyl)phenoxy]ethyl]oxolane?
2-[2-[3-(bromomethyl)phenoxy]ethyl]oxolane has a molecular weight of 285.18 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(bromomethyl)phenoxy]ethyl]oxolane is sourced from PubChem (CID 65163188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).