2-[2-(2-bromo-4-methylphenoxy)ethyl]oxolane

C13H17BrO2 — CID 65161378

IUPAC2-[2-(2-bromo-4-methylphenoxy)ethyl]oxolane
SMILESCc1ccc(OCCC2CCCO2)c(Br)c1
InChIInChI=1S/C13H17BrO2/c1-10-4-5-13(12(14)9-10)16-8-6-11-3-2-7-15-11/h4-5,9,11H,2-3,6-8H2,1H3
InChIKeyXCJPDHSXTFLOLC-UHFFFAOYSA-N
MW285.18 g/mol
LogP3.71
Rot. Bonds4

About 2-[2-(2-bromo-4-methylphenoxy)ethyl]oxolane

2-[2-(2-bromo-4-methylphenoxy)ethyl]oxolane (PubChem CID 65161378) has the molecular formula C13H17BrO2 and a molecular weight of 285.18 g/mol. Its IUPAC name is 2-[2-(2-bromo-4-methylphenoxy)ethyl]oxolane.

Molecular Properties

Compound Name2-[2-(2-bromo-4-methylphenoxy)ethyl]oxolane
PubChem CID65161378
Molecular FormulaC13H17BrO2
Molecular Weight285.18 g/mol
Exact Mass284.04
IUPAC Name2-[2-(2-bromo-4-methylphenoxy)ethyl]oxolane
SMILESCc1ccc(OCCC2CCCO2)c(Br)c1
InChIInChI=1S/C13H17BrO2/c1-10-4-5-13(12(14)9-10)16-8-6-11-3-2-7-15-11/h4-5,9,11H,2-3,6-8H2,1H3
InChIKeyXCJPDHSXTFLOLC-UHFFFAOYSA-N
XLogP3.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]boronic acid
CID 65162445
(1S)-1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 79004695
1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158929
1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine
CID 65164886
N-[[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 65158505
2-[3-(2-bromo-4-fluorophenoxy)propyl]oxolane
CID 65161375
2-[3-(4-bromo-2-methylphenoxy)propyl]oxolane
CID 65161593
5-methyl-2-[3-(oxolan-2-yl)propoxy]benzenesulfonamide
CID 65163103
N-ethyl-1-[4-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158607
(2S)-2-[2-(2-bromo-4-methylphenoxy)ethyl]piperidine
CID 86320918
2-(2-bromo-4-methylphenoxy)-N-methyl-N-[2-(oxolan-2-yl)ethyl]propanamide
CID 86805914
2,3-dimethyl-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonyl chloride
CID 65163699

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromo-4-methylphenoxy)ethyl]oxolane?
The IUPAC name of 2-[2-(2-bromo-4-methylphenoxy)ethyl]oxolane (CID 65161378) is 2-[2-(2-bromo-4-methylphenoxy)ethyl]oxolane.
What is the SMILES notation for 2-[2-(2-bromo-4-methylphenoxy)ethyl]oxolane?
The canonical SMILES for 2-[2-(2-bromo-4-methylphenoxy)ethyl]oxolane is Cc1ccc(OCCC2CCCO2)c(Br)c1.
What is the InChIKey of 2-[2-(2-bromo-4-methylphenoxy)ethyl]oxolane?
The InChIKey is XCJPDHSXTFLOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO2/c1-10-4-5-13(12(14)9-10)16-8-6-11-3-2-7-15-11/h4-5,9,11H,2-3,6-8H2,1H3.
What are the key properties of 2-[2-(2-bromo-4-methylphenoxy)ethyl]oxolane?
2-[2-(2-bromo-4-methylphenoxy)ethyl]oxolane has a molecular weight of 285.18 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromo-4-methylphenoxy)ethyl]oxolane is sourced from PubChem (CID 65161378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).