(1R,5R,8R)-8-[(4-bromophenyl)methyl]-2,7-dioxabicyclo[3.2.1]octane

C13H15BrO2 — CID 44604514

IUPAC(1R,5R,8R)-8-[(4-bromophenyl)methyl]-2,7-dioxabicyclo[3.2.1]octane
SMILESBrc1ccc(C[C@@H]2[C@H]3CCO[C@@H]2OC3)cc1
InChIInChI=1S/C13H15BrO2/c14-11-3-1-9(2-4-11)7-12-10-5-6-15-13(12)16-8-10/h1-4,10,12-13H,5-8H2/t10-,12+,13+/m0/s1
InChIKeyUWMVVUBRCFXFSY-CYZMBNFOSA-N
MW283.16 g/mol
LogP3.00
Rot. Bonds2

About (1R,5R,8R)-8-[(4-bromophenyl)methyl]-2,7-dioxabicyclo[3.2.1]octane

(1R,5R,8R)-8-[(4-bromophenyl)methyl]-2,7-dioxabicyclo[3.2.1]octane (PubChem CID 44604514) has the molecular formula C13H15BrO2 and a molecular weight of 283.16 g/mol. Its IUPAC name is (1R,5R,8R)-8-[(4-bromophenyl)methyl]-2,7-dioxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5R,8R)-8-[(4-bromophenyl)methyl]-2,7-dioxabicyclo[3.2.1]octane
PubChem CID44604514
Molecular FormulaC13H15BrO2
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name(1R,5R,8R)-8-[(4-bromophenyl)methyl]-2,7-dioxabicyclo[3.2.1]octane
SMILESBrc1ccc(C[C@@H]2[C@H]3CCO[C@@H]2OC3)cc1
InChIInChI=1S/C13H15BrO2/c14-11-3-1-9(2-4-11)7-12-10-5-6-15-13(12)16-8-10/h1-4,10,12-13H,5-8H2/t10-,12+,13+/m0/s1
InChIKeyUWMVVUBRCFXFSY-CYZMBNFOSA-N
XLogP3.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5R,8R)-8-[(4-bromophenyl)methyl]-2,7-dioxabicyclo[3.2.1]octane?
The IUPAC name of (1R,5R,8R)-8-[(4-bromophenyl)methyl]-2,7-dioxabicyclo[3.2.1]octane (CID 44604514) is (1R,5R,8R)-8-[(4-bromophenyl)methyl]-2,7-dioxabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5R,8R)-8-[(4-bromophenyl)methyl]-2,7-dioxabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5R,8R)-8-[(4-bromophenyl)methyl]-2,7-dioxabicyclo[3.2.1]octane is Brc1ccc(C[C@@H]2[C@H]3CCO[C@@H]2OC3)cc1.
What is the InChIKey of (1R,5R,8R)-8-[(4-bromophenyl)methyl]-2,7-dioxabicyclo[3.2.1]octane?
The InChIKey is UWMVVUBRCFXFSY-CYZMBNFOSA-N. The full InChI is InChI=1S/C13H15BrO2/c14-11-3-1-9(2-4-11)7-12-10-5-6-15-13(12)16-8-10/h1-4,10,12-13H,5-8H2/t10-,12+,13+/m0/s1.
What are the key properties of (1R,5R,8R)-8-[(4-bromophenyl)methyl]-2,7-dioxabicyclo[3.2.1]octane?
(1R,5R,8R)-8-[(4-bromophenyl)methyl]-2,7-dioxabicyclo[3.2.1]octane has a molecular weight of 283.16 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,8R)-8-[(4-bromophenyl)methyl]-2,7-dioxabicyclo[3.2.1]octane is sourced from PubChem (CID 44604514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).