2-[(1R)-1-(2-bromophenyl)ethoxy]oxane

C13H17BrO2 — CID 59069780

IUPAC2-[(1R)-1-(2-bromophenyl)ethoxy]oxane
SMILESC[C@@H](OC1CCCCO1)c1ccccc1Br
InChIInChI=1S/C13H17BrO2/c1-10(11-6-2-3-7-12(11)14)16-13-8-4-5-9-15-13/h2-3,6-7,10,13H,4-5,8-9H2,1H3/t10-,13?/m1/s1
InChIKeyLQQTXQBTEFTGKG-VUUHIHSGSA-N
MW285.18 g/mol
LogP4.05
Rot. Bonds3

About 2-[(1R)-1-(2-bromophenyl)ethoxy]oxane

2-[(1R)-1-(2-bromophenyl)ethoxy]oxane (PubChem CID 59069780) has the molecular formula C13H17BrO2 and a molecular weight of 285.18 g/mol. Its IUPAC name is 2-[(1R)-1-(2-bromophenyl)ethoxy]oxane.

Molecular Properties

Compound Name2-[(1R)-1-(2-bromophenyl)ethoxy]oxane
PubChem CID59069780
Molecular FormulaC13H17BrO2
Molecular Weight285.18 g/mol
Exact Mass284.04
IUPAC Name2-[(1R)-1-(2-bromophenyl)ethoxy]oxane
SMILESC[C@@H](OC1CCCCO1)c1ccccc1Br
InChIInChI=1S/C13H17BrO2/c1-10(11-6-2-3-7-12(11)14)16-13-8-4-5-9-15-13/h2-3,6-7,10,13H,4-5,8-9H2,1H3/t10-,13?/m1/s1
InChIKeyLQQTXQBTEFTGKG-VUUHIHSGSA-N
XLogP4.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(1R)-1-(2-bromophenyl)ethoxy]oxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(2-bromophenyl)prop-2-enoxy]oxane
CID 19102222
S-[4-bromo-3-[1-(oxan-2-yloxy)ethyl]phenyl]thiohydroxylamine
CID 167090366
2-[(2S)-1-[2-[(2S)-2-(oxan-2-yloxy)propoxy]phenoxy]propan-2-yl]oxyoxane
CID 10475739
2-[(1R)-1-(3-chlorophenyl)ethoxy]oxane
CID 173259383
2-[1-(4-bromophenyl)sulfanylethoxy]oxane
CID 66808615
2-(2-bromophenyl)propan-1-ol;2-[2-(2-bromophenyl)propoxy]oxane;3,4-dihydro-2H-pyran
CID 160628799
1-(2-bromophenyl)-N-[2-(oxan-2-yl)ethyl]ethanamine
CID 103983659
3-methyl-2-(oxan-2-yloxy)-4-phenylbutanenitrile
CID 102467228
2-[1-(oxan-2-yloxy)ethyl]-1H-imidazole
CID 166757522
2-[(2S)-2-(oxan-2-yloxy)propoxy]benzonitrile
CID 175791848
2-[5-[1-(oxan-2-yloxy)ethyl]-1,2-oxazol-3-yl]propan-2-ol
CID 10355007
benzyl 6-methyl-3-(oxan-2-yloxy)heptanoate
CID 10568752

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(2-bromophenyl)ethoxy]oxane?
The IUPAC name of 2-[(1R)-1-(2-bromophenyl)ethoxy]oxane (CID 59069780) is 2-[(1R)-1-(2-bromophenyl)ethoxy]oxane.
What is the SMILES notation for 2-[(1R)-1-(2-bromophenyl)ethoxy]oxane?
The canonical SMILES for 2-[(1R)-1-(2-bromophenyl)ethoxy]oxane is C[C@@H](OC1CCCCO1)c1ccccc1Br.
What is the InChIKey of 2-[(1R)-1-(2-bromophenyl)ethoxy]oxane?
The InChIKey is LQQTXQBTEFTGKG-VUUHIHSGSA-N. The full InChI is InChI=1S/C13H17BrO2/c1-10(11-6-2-3-7-12(11)14)16-13-8-4-5-9-15-13/h2-3,6-7,10,13H,4-5,8-9H2,1H3/t10-,13?/m1/s1.
What are the key properties of 2-[(1R)-1-(2-bromophenyl)ethoxy]oxane?
2-[(1R)-1-(2-bromophenyl)ethoxy]oxane has a molecular weight of 285.18 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(2-bromophenyl)ethoxy]oxane is sourced from PubChem (CID 59069780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).