3-(3-bromophenyl)-3-methoxyoxolane

C11H13BrO2 — CID 167040279

IUPAC3-(3-bromophenyl)-3-methoxyoxolane
SMILESCOC1(c2cccc(Br)c2)CCOC1
InChIInChI=1S/C11H13BrO2/c1-13-11(5-6-14-8-11)9-3-2-4-10(12)7-9/h2-4,7H,5-6,8H2,1H3
InChIKeyDMVIMUOSXWCVPM-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.71
Rot. Bonds2

About 3-(3-bromophenyl)-3-methoxyoxolane

3-(3-bromophenyl)-3-methoxyoxolane (PubChem CID 167040279) has the molecular formula C11H13BrO2 and a molecular weight of 257.13 g/mol. Its IUPAC name is 3-(3-bromophenyl)-3-methoxyoxolane.

Molecular Properties

Compound Name3-(3-bromophenyl)-3-methoxyoxolane
PubChem CID167040279
Molecular FormulaC11H13BrO2
Molecular Weight257.13 g/mol
Exact Mass256.01
IUPAC Name3-(3-bromophenyl)-3-methoxyoxolane
SMILESCOC1(c2cccc(Br)c2)CCOC1
InChIInChI=1S/C11H13BrO2/c1-13-11(5-6-14-8-11)9-3-2-4-10(12)7-9/h2-4,7H,5-6,8H2,1H3
InChIKeyDMVIMUOSXWCVPM-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-3-methoxyoxolane?
The IUPAC name of 3-(3-bromophenyl)-3-methoxyoxolane (CID 167040279) is 3-(3-bromophenyl)-3-methoxyoxolane.
What is the SMILES notation for 3-(3-bromophenyl)-3-methoxyoxolane?
The canonical SMILES for 3-(3-bromophenyl)-3-methoxyoxolane is COC1(c2cccc(Br)c2)CCOC1.
What is the InChIKey of 3-(3-bromophenyl)-3-methoxyoxolane?
The InChIKey is DMVIMUOSXWCVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO2/c1-13-11(5-6-14-8-11)9-3-2-4-10(12)7-9/h2-4,7H,5-6,8H2,1H3.
What are the key properties of 3-(3-bromophenyl)-3-methoxyoxolane?
3-(3-bromophenyl)-3-methoxyoxolane has a molecular weight of 257.13 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-3-methoxyoxolane is sourced from PubChem (CID 167040279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).