(2R)-2-[(4-bromophenyl)methyl]oxolane

C11H13BrO — CID 125484164

IUPAC(2R)-2-[(4-bromophenyl)methyl]oxolane
SMILESBrc1ccc(C[C@H]2CCCO2)cc1
InChIInChI=1S/C11H13BrO/c12-10-5-3-9(4-6-10)8-11-2-1-7-13-11/h3-6,11H,1-2,7-8H2/t11-/m1/s1
InChIKeyJSHSHZCXPHONIA-LLVKDONJSA-N
MW241.13 g/mol
LogP3.17
Rot. Bonds2

About (2R)-2-[(4-bromophenyl)methyl]oxolane

(2R)-2-[(4-bromophenyl)methyl]oxolane (PubChem CID 125484164) has the molecular formula C11H13BrO and a molecular weight of 241.13 g/mol. Its IUPAC name is (2R)-2-[(4-bromophenyl)methyl]oxolane.

Molecular Properties

Compound Name(2R)-2-[(4-bromophenyl)methyl]oxolane
PubChem CID125484164
Molecular FormulaC11H13BrO
Molecular Weight241.13 g/mol
Exact Mass240.01
IUPAC Name(2R)-2-[(4-bromophenyl)methyl]oxolane
SMILESBrc1ccc(C[C@H]2CCCO2)cc1
InChIInChI=1S/C11H13BrO/c12-10-5-3-9(4-6-10)8-11-2-1-7-13-11/h3-6,11H,1-2,7-8H2/t11-/m1/s1
InChIKeyJSHSHZCXPHONIA-LLVKDONJSA-N
XLogP3.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-bromophenyl)methyl]oxolane?
The IUPAC name of (2R)-2-[(4-bromophenyl)methyl]oxolane (CID 125484164) is (2R)-2-[(4-bromophenyl)methyl]oxolane.
What is the SMILES notation for (2R)-2-[(4-bromophenyl)methyl]oxolane?
The canonical SMILES for (2R)-2-[(4-bromophenyl)methyl]oxolane is Brc1ccc(C[C@H]2CCCO2)cc1.
What is the InChIKey of (2R)-2-[(4-bromophenyl)methyl]oxolane?
The InChIKey is JSHSHZCXPHONIA-LLVKDONJSA-N. The full InChI is InChI=1S/C11H13BrO/c12-10-5-3-9(4-6-10)8-11-2-1-7-13-11/h3-6,11H,1-2,7-8H2/t11-/m1/s1.
What are the key properties of (2R)-2-[(4-bromophenyl)methyl]oxolane?
(2R)-2-[(4-bromophenyl)methyl]oxolane has a molecular weight of 241.13 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-bromophenyl)methyl]oxolane is sourced from PubChem (CID 125484164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).