3-[2-(4-bromophenyl)ethoxy]oxane

C13H17BrO2 — CID 67606363

IUPAC3-[2-(4-bromophenyl)ethoxy]oxane
SMILESBrc1ccc(CCOC2CCCOC2)cc1
InChIInChI=1S/C13H17BrO2/c14-12-5-3-11(4-6-12)7-9-16-13-2-1-8-15-10-13/h3-6,13H,1-2,7-10H2
InChIKeyLRXHGRPDUXMXNX-UHFFFAOYSA-N
MW285.18 g/mol
LogP3.19
Rot. Bonds4

About 3-[2-(4-bromophenyl)ethoxy]oxane

3-[2-(4-bromophenyl)ethoxy]oxane (PubChem CID 67606363) has the molecular formula C13H17BrO2 and a molecular weight of 285.18 g/mol. Its IUPAC name is 3-[2-(4-bromophenyl)ethoxy]oxane.

Molecular Properties

Compound Name3-[2-(4-bromophenyl)ethoxy]oxane
PubChem CID67606363
Molecular FormulaC13H17BrO2
Molecular Weight285.18 g/mol
Exact Mass284.04
IUPAC Name3-[2-(4-bromophenyl)ethoxy]oxane
SMILESBrc1ccc(CCOC2CCCOC2)cc1
InChIInChI=1S/C13H17BrO2/c14-12-5-3-11(4-6-12)7-9-16-13-2-1-8-15-10-13/h3-6,13H,1-2,7-10H2
InChIKeyLRXHGRPDUXMXNX-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(4-bromophenoxy)ethoxy]oxolane
CID 63559292
3-[3-(4-phenylmethoxyphenyl)propoxy]oxane
CID 57004951
(3S)-3-(4-propylphenoxy)oxane
CID 178142370
4-[2-(oxan-4-yloxy)ethyl]aniline
CID 61286553
2-cyclobutyloxyethylbenzene
CID 54003575
[3-bromo-4-(oxan-3-yloxy)phenyl]methanol
CID 107135061
3-pentoxyoxane
CID 54336380
[5-bromo-2-(oxan-3-yloxy)phenyl]methanol
CID 107135040
oxan-4-yl 5-(4-bromophenyl)pentanoate
CID 91646615
(3R)-3-[4-(2-methylpropyl)phenoxy]oxane
CID 178142322
4-[4-(oxan-3-yloxy)phenyl]butanoic acid
CID 117415300
2-(oxan-3-yloxy)ethyl 4-methylbenzenesulfonate
CID 177176391

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-bromophenyl)ethoxy]oxane?
The IUPAC name of 3-[2-(4-bromophenyl)ethoxy]oxane (CID 67606363) is 3-[2-(4-bromophenyl)ethoxy]oxane.
What is the SMILES notation for 3-[2-(4-bromophenyl)ethoxy]oxane?
The canonical SMILES for 3-[2-(4-bromophenyl)ethoxy]oxane is Brc1ccc(CCOC2CCCOC2)cc1.
What is the InChIKey of 3-[2-(4-bromophenyl)ethoxy]oxane?
The InChIKey is LRXHGRPDUXMXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO2/c14-12-5-3-11(4-6-12)7-9-16-13-2-1-8-15-10-13/h3-6,13H,1-2,7-10H2.
What are the key properties of 3-[2-(4-bromophenyl)ethoxy]oxane?
3-[2-(4-bromophenyl)ethoxy]oxane has a molecular weight of 285.18 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-bromophenyl)ethoxy]oxane is sourced from PubChem (CID 67606363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).