3-(2-bromophenyl)-3-methyloxolane

C11H13BrO — CID 115044033

IUPAC3-(2-bromophenyl)-3-methyloxolane
SMILESCC1(c2ccccc2Br)CCOC1
InChIInChI=1S/C11H13BrO/c1-11(6-7-13-8-11)9-4-2-3-5-10(9)12/h2-5H,6-8H2,1H3
InChIKeyKEECKSRHPJDDJB-UHFFFAOYSA-N
MW241.13 g/mol
LogP3.13
Rot. Bonds1

About 3-(2-bromophenyl)-3-methyloxolane

3-(2-bromophenyl)-3-methyloxolane (PubChem CID 115044033) has the molecular formula C11H13BrO and a molecular weight of 241.13 g/mol. Its IUPAC name is 3-(2-bromophenyl)-3-methyloxolane.

Molecular Properties

Compound Name3-(2-bromophenyl)-3-methyloxolane
PubChem CID115044033
Molecular FormulaC11H13BrO
Molecular Weight241.13 g/mol
Exact Mass240.01
IUPAC Name3-(2-bromophenyl)-3-methyloxolane
SMILESCC1(c2ccccc2Br)CCOC1
InChIInChI=1S/C11H13BrO/c1-11(6-7-13-8-11)9-4-2-3-5-10(9)12/h2-5H,6-8H2,1H3
InChIKeyKEECKSRHPJDDJB-UHFFFAOYSA-N
XLogP3.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-3-methyloxolane?
The IUPAC name of 3-(2-bromophenyl)-3-methyloxolane (CID 115044033) is 3-(2-bromophenyl)-3-methyloxolane.
What is the SMILES notation for 3-(2-bromophenyl)-3-methyloxolane?
The canonical SMILES for 3-(2-bromophenyl)-3-methyloxolane is CC1(c2ccccc2Br)CCOC1.
What is the InChIKey of 3-(2-bromophenyl)-3-methyloxolane?
The InChIKey is KEECKSRHPJDDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO/c1-11(6-7-13-8-11)9-4-2-3-5-10(9)12/h2-5H,6-8H2,1H3.
What are the key properties of 3-(2-bromophenyl)-3-methyloxolane?
3-(2-bromophenyl)-3-methyloxolane has a molecular weight of 241.13 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-3-methyloxolane is sourced from PubChem (CID 115044033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).