2-(3-bromophenoxy)oxane

C11H13BrO2 — CID 5067264

IUPAC2-(3-bromophenoxy)oxane
SMILESBrc1cccc(OC2CCCCO2)c1
InChIInChI=1S/C11H13BrO2/c12-9-4-3-5-10(8-9)14-11-6-1-2-7-13-11/h3-5,8,11H,1-2,6-7H2
InChIKeyYDIPSMGGPVMCHP-UHFFFAOYSA-N
MW257.13 g/mol
LogP3.35
Rot. Bonds2

About 2-(3-bromophenoxy)oxane

2-(3-bromophenoxy)oxane (PubChem CID 5067264) has the molecular formula C11H13BrO2 and a molecular weight of 257.13 g/mol. Its IUPAC name is 2-(3-bromophenoxy)oxane.

Molecular Properties

Compound Name2-(3-bromophenoxy)oxane
PubChem CID5067264
Molecular FormulaC11H13BrO2
Molecular Weight257.13 g/mol
Exact Mass256.01
IUPAC Name2-(3-bromophenoxy)oxane
SMILESBrc1cccc(OC2CCCCO2)c1
InChIInChI=1S/C11H13BrO2/c12-9-4-3-5-10(8-9)14-11-6-1-2-7-13-11/h3-5,8,11H,1-2,6-7H2
InChIKeyYDIPSMGGPVMCHP-UHFFFAOYSA-N
XLogP3.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(3-bromophenoxy)butoxy]oxane
CID 59476029
2-phenoxyoxolane
CID 11030163
(2S)-2-phenoxyoxolane
CID 86339377
(2R)-2-phenoxyoxolane
CID 86339376
(2R)-2-[3-(2-chloroprop-2-enyl)phenoxy]oxane
CID 97044046
2-(3,4-dimethylphenoxy)oxane
CID 10987441
4-[3-(oxan-2-yloxy)phenyl]benzamide
CID 139985514
2-(4-bromophenoxy)oxane;trimethyl-[4-(oxan-2-yloxy)phenyl]silane
CID 159621581
2-[4-[1-(4-bromophenyl)-1-[4-(oxan-2-yloxy)phenyl]ethyl]phenoxy]oxane
CID 59724389
(2R)-2-(4-phenylphenoxy)oxane
CID 95989396
3,8-bis[[(2R)-oxan-2-yl]oxy]benzo[c]cinnoline
CID 124863691
(2R)-2-[2-[(2R)-oxan-2-yl]oxyphenoxy]oxane
CID 6932695

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)oxane?
The IUPAC name of 2-(3-bromophenoxy)oxane (CID 5067264) is 2-(3-bromophenoxy)oxane.
What is the SMILES notation for 2-(3-bromophenoxy)oxane?
The canonical SMILES for 2-(3-bromophenoxy)oxane is Brc1cccc(OC2CCCCO2)c1.
What is the InChIKey of 2-(3-bromophenoxy)oxane?
The InChIKey is YDIPSMGGPVMCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO2/c12-9-4-3-5-10(8-9)14-11-6-1-2-7-13-11/h3-5,8,11H,1-2,6-7H2.
What are the key properties of 2-(3-bromophenoxy)oxane?
2-(3-bromophenoxy)oxane has a molecular weight of 257.13 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)oxane is sourced from PubChem (CID 5067264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).