5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran

C11H13BrO — CID 59446392

IUPAC5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran
SMILESCC(C)c1cc(Br)cc2c1OCC2
InChIInChI=1S/C11H13BrO/c1-7(2)10-6-9(12)5-8-3-4-13-11(8)10/h5-7H,3-4H2,1-2H3
InChIKeyLYCHBJRFDGXSES-UHFFFAOYSA-N
MW241.13 g/mol
LogP3.51
Rot. Bonds1

About 5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran

5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran (PubChem CID 59446392) has the molecular formula C11H13BrO and a molecular weight of 241.13 g/mol. Its IUPAC name is 5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran
PubChem CID59446392
Molecular FormulaC11H13BrO
Molecular Weight241.13 g/mol
Exact Mass240.01
IUPAC Name5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran
SMILESCC(C)c1cc(Br)cc2c1OCC2
InChIInChI=1S/C11H13BrO/c1-7(2)10-6-9(12)5-8-3-4-13-11(8)10/h5-7H,3-4H2,1-2H3
InChIKeyLYCHBJRFDGXSES-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-7-(1-chloro-2-methylpropyl)-2,3-dihydro-1-benzofuran
CID 104543317
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-methylbutan-1-amine
CID 104541441
(1R)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)propan-1-ol
CID 104545355
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3,5-dibromophenyl)methanol
CID 107980780
5-bromo-7-(1-chloro-2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran
CID 104543460
5-bromo-7-[bromo-(2,2-dimethylcyclopropyl)methyl]-2,3-dihydro-1-benzofuran
CID 107002842
5-bromo-7-[bromo-(2,4,6-trimethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543584
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-4-methylpentan-1-amine
CID 104541854
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(5-bromo-2-methylphenyl)methanol
CID 104543001
5-bromo-7-[bromo(cyclopentyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543668
5-bromo-7-(1-chloro-4,4-dimethylpentyl)-2,3-dihydro-1-benzofuran
CID 114212886
5-bromo-7-[bromo-(3-bromo-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543484

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran (CID 59446392) is 5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran is CC(C)c1cc(Br)cc2c1OCC2.
What is the InChIKey of 5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran?
The InChIKey is LYCHBJRFDGXSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO/c1-7(2)10-6-9(12)5-8-3-4-13-11(8)10/h5-7H,3-4H2,1-2H3.
What are the key properties of 5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran?
5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran has a molecular weight of 241.13 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 59446392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).