2-[1-(2-bromophenyl)prop-2-enoxy]oxane

C14H17BrO2 — CID 19102222

IUPAC2-[1-(2-bromophenyl)prop-2-enoxy]oxane
SMILESC=CC(OC1CCCCO1)c1ccccc1Br
InChIInChI=1S/C14H17BrO2/c1-2-13(11-7-3-4-8-12(11)15)17-14-9-5-6-10-16-14/h2-4,7-8,13-14H,1,5-6,9-10H2
InChIKeyONCRBHOAKAAJAD-UHFFFAOYSA-N
MW297.19 g/mol
LogP4.22
Rot. Bonds4

About 2-[1-(2-bromophenyl)prop-2-enoxy]oxane

2-[1-(2-bromophenyl)prop-2-enoxy]oxane (PubChem CID 19102222) has the molecular formula C14H17BrO2 and a molecular weight of 297.19 g/mol. Its IUPAC name is 2-[1-(2-bromophenyl)prop-2-enoxy]oxane.

Molecular Properties

Compound Name2-[1-(2-bromophenyl)prop-2-enoxy]oxane
PubChem CID19102222
Molecular FormulaC14H17BrO2
Molecular Weight297.19 g/mol
Exact Mass296.04
IUPAC Name2-[1-(2-bromophenyl)prop-2-enoxy]oxane
SMILESC=CC(OC1CCCCO1)c1ccccc1Br
InChIInChI=1S/C14H17BrO2/c1-2-13(11-7-3-4-8-12(11)15)17-14-9-5-6-10-16-14/h2-4,7-8,13-14H,1,5-6,9-10H2
InChIKeyONCRBHOAKAAJAD-UHFFFAOYSA-N
XLogP4.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(1R)-1-(2-bromophenyl)ethoxy]oxane
CID 59069780
2-[(2S)-but-3-en-2-yl]oxyoxane
CID 11019115
S-[4-bromo-3-[1-(oxan-2-yloxy)ethyl]phenyl]thiohydroxylamine
CID 167090366
2-(1-cyclohexylprop-2-enoxy)oxane
CID 54027830
2-[(2S)-1-[2-[(2S)-2-(oxan-2-yloxy)propoxy]phenoxy]propan-2-yl]oxyoxane
CID 10475739
2-[2-(2-bromophenoxy)ethoxy]oxane
CID 11087925
(2R)-2-[2-[(2R)-oxan-2-yl]oxyphenoxy]oxane
CID 6932695
2-(2-ethenylphenoxy)oxecane
CID 139905565
(1R,2R)-2-(oxan-2-yloxy)-1,2-diphenylethanol
CID 71209539
2-(4-ethenylphenoxy)oxane;styrene
CID 161099420
2-[3-bromo-2-(2-bromophenyl)propyl]oxolane
CID 79454797
2-(2-bromophenyl)propan-1-ol;2-[2-(2-bromophenyl)propoxy]oxane;3,4-dihydro-2H-pyran
CID 160628799

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bromophenyl)prop-2-enoxy]oxane?
The IUPAC name of 2-[1-(2-bromophenyl)prop-2-enoxy]oxane (CID 19102222) is 2-[1-(2-bromophenyl)prop-2-enoxy]oxane.
What is the SMILES notation for 2-[1-(2-bromophenyl)prop-2-enoxy]oxane?
The canonical SMILES for 2-[1-(2-bromophenyl)prop-2-enoxy]oxane is C=CC(OC1CCCCO1)c1ccccc1Br.
What is the InChIKey of 2-[1-(2-bromophenyl)prop-2-enoxy]oxane?
The InChIKey is ONCRBHOAKAAJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrO2/c1-2-13(11-7-3-4-8-12(11)15)17-14-9-5-6-10-16-14/h2-4,7-8,13-14H,1,5-6,9-10H2.
What are the key properties of 2-[1-(2-bromophenyl)prop-2-enoxy]oxane?
2-[1-(2-bromophenyl)prop-2-enoxy]oxane has a molecular weight of 297.19 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bromophenyl)prop-2-enoxy]oxane is sourced from PubChem (CID 19102222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).