2-[[2-bromo-1-(2-chlorophenyl)ethoxy]methyl]oxolane

C13H16BrClO2 — CID 62107975

IUPAC2-[[2-bromo-1-(2-chlorophenyl)ethoxy]methyl]oxolane
SMILESClc1ccccc1C(CBr)OCC1CCCO1
InChIInChI=1S/C13H16BrClO2/c14-8-13(11-5-1-2-6-12(11)15)17-9-10-4-3-7-16-10/h1-2,5-6,10,13H,3-4,7-9H2
InChIKeyWDLWYGJHFMZKMC-UHFFFAOYSA-N
MW319.63 g/mol
LogP3.97
Rot. Bonds5

About 2-[[2-bromo-1-(2-chlorophenyl)ethoxy]methyl]oxolane

2-[[2-bromo-1-(2-chlorophenyl)ethoxy]methyl]oxolane (PubChem CID 62107975) has the molecular formula C13H16BrClO2 and a molecular weight of 319.63 g/mol. Its IUPAC name is 2-[[2-bromo-1-(2-chlorophenyl)ethoxy]methyl]oxolane.

Molecular Properties

Compound Name2-[[2-bromo-1-(2-chlorophenyl)ethoxy]methyl]oxolane
PubChem CID62107975
Molecular FormulaC13H16BrClO2
Molecular Weight319.63 g/mol
Exact Mass318.00
IUPAC Name2-[[2-bromo-1-(2-chlorophenyl)ethoxy]methyl]oxolane
SMILESClc1ccccc1C(CBr)OCC1CCCO1
InChIInChI=1S/C13H16BrClO2/c14-8-13(11-5-1-2-6-12(11)15)17-9-10-4-3-7-16-10/h1-2,5-6,10,13H,3-4,7-9H2
InChIKeyWDLWYGJHFMZKMC-UHFFFAOYSA-N
XLogP3.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.63
LogP ≤ 53.97
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

2-(2-bromophenyl)-N-ethyl-2-(oxolan-2-ylmethoxy)ethanamine
CID 62107604
1-(2-bromo-1-cyclohexyloxyethyl)-2-chlorobenzene
CID 63468804
2-(2-chlorophenyl)-5-(oxolan-2-yl)pentan-1-ol
CID 79455209
1-[2-bromo-1-(2-methylcyclohexyl)oxyethyl]-2-chlorobenzene
CID 63468076
2-[[1-(4-chlorophenyl)-2-iodoethoxy]methyl]oxane
CID 114772676
(2S)-2-[[(1S)-1-(2-chlorophenyl)ethoxy]methyl]oxirane
CID 97180205
2-[[1-(3-chlorophenyl)-2-iodoethoxy]methyl]oxane
CID 114772647
2-[3-bromo-2-(2-bromophenyl)propyl]oxolane
CID 79454797
(1R)-1-(2-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 81378620
N-ethyl-2-(2-fluorophenyl)-2-(oxan-2-ylmethoxy)ethanamine
CID 62108277
N-[2-(oxan-2-ylmethoxy)-2-phenylethyl]cyclopropanamine
CID 62107918
4-[[2-bromo-1-(2-bromophenyl)ethoxy]methyl]oxane
CID 55066481

Frequently Asked Questions

What is the IUPAC name of 2-[[2-bromo-1-(2-chlorophenyl)ethoxy]methyl]oxolane?
The IUPAC name of 2-[[2-bromo-1-(2-chlorophenyl)ethoxy]methyl]oxolane (CID 62107975) is 2-[[2-bromo-1-(2-chlorophenyl)ethoxy]methyl]oxolane.
What is the SMILES notation for 2-[[2-bromo-1-(2-chlorophenyl)ethoxy]methyl]oxolane?
The canonical SMILES for 2-[[2-bromo-1-(2-chlorophenyl)ethoxy]methyl]oxolane is Clc1ccccc1C(CBr)OCC1CCCO1.
What is the InChIKey of 2-[[2-bromo-1-(2-chlorophenyl)ethoxy]methyl]oxolane?
The InChIKey is WDLWYGJHFMZKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClO2/c14-8-13(11-5-1-2-6-12(11)15)17-9-10-4-3-7-16-10/h1-2,5-6,10,13H,3-4,7-9H2.
What are the key properties of 2-[[2-bromo-1-(2-chlorophenyl)ethoxy]methyl]oxolane?
2-[[2-bromo-1-(2-chlorophenyl)ethoxy]methyl]oxolane has a molecular weight of 319.63 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-bromo-1-(2-chlorophenyl)ethoxy]methyl]oxolane is sourced from PubChem (CID 62107975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).