5-bromo-2-phenylmethoxyoxane

C12H15BrO2 — CID 10061728

IUPAC5-bromo-2-phenylmethoxyoxane
SMILESBrC1CCC(OCc2ccccc2)OC1
InChIInChI=1S/C12H15BrO2/c13-11-6-7-12(15-9-11)14-8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2
InChIKeyLTPUQVTXXHDLLL-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.10
Rot. Bonds3

About 5-bromo-2-phenylmethoxyoxane

5-bromo-2-phenylmethoxyoxane (PubChem CID 10061728) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is 5-bromo-2-phenylmethoxyoxane.

Molecular Properties

Compound Name5-bromo-2-phenylmethoxyoxane
PubChem CID10061728
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name5-bromo-2-phenylmethoxyoxane
SMILESBrC1CCC(OCc2ccccc2)OC1
InChIInChI=1S/C12H15BrO2/c13-11-6-7-12(15-9-11)14-8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2
InChIKeyLTPUQVTXXHDLLL-UHFFFAOYSA-N
XLogP3.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-phenylmethoxyoxetane
CID 23030739
(2R,4S,5R)-2-methoxy-5-phenylmethoxyoxan-4-ol
CID 11746679
2,4-bis(phenylmethoxy)oxane
CID 123735835
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
[(5R)-5-phenylmethoxyoxan-2-yl] acetate
CID 102211258
(2R,4R)-4-bromo-2-(phenylmethoxymethyl)oxolane
CID 11086853
(2S,5S)-2-(1-phenylethenoxy)-5-phenylmethoxyoxane
CID 102030081
[4-(oxan-2-yloxymethyl)phenyl]-diphenylphosphane
CID 71336769
(3aR)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 156643609
(2R,3R,4S)-3,4-bis(phenylmethoxy)oxolane-2-carbaldehyde
CID 25208780
(2S,3S,4R,5R)-5-bromo-2-phenylmethoxyoxane-3,4-diol
CID 125469481
(5S)-5-phenylmethoxyoxan-2-ol
CID 138637450

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-phenylmethoxyoxane?
The IUPAC name of 5-bromo-2-phenylmethoxyoxane (CID 10061728) is 5-bromo-2-phenylmethoxyoxane.
What is the SMILES notation for 5-bromo-2-phenylmethoxyoxane?
The canonical SMILES for 5-bromo-2-phenylmethoxyoxane is BrC1CCC(OCc2ccccc2)OC1.
What is the InChIKey of 5-bromo-2-phenylmethoxyoxane?
The InChIKey is LTPUQVTXXHDLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO2/c13-11-6-7-12(15-9-11)14-8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2.
What are the key properties of 5-bromo-2-phenylmethoxyoxane?
5-bromo-2-phenylmethoxyoxane has a molecular weight of 271.15 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-phenylmethoxyoxane is sourced from PubChem (CID 10061728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).