2-bromo-4,4-dimethylindeno[1,2-b]furan

C13H11BrO — CID 156530708

IUPAC2-bromo-4,4-dimethylindeno[1,2-b]furan
SMILESCC1(C)c2ccccc2-c2oc(Br)cc21
InChIInChI=1S/C13H11BrO/c1-13(2)9-6-4-3-5-8(9)12-10(13)7-11(14)15-12/h3-7H,1-2H3
InChIKeyJDIBDWAPSDBIOH-UHFFFAOYSA-N
MW263.13 g/mol
LogP4.35
Rot. Bonds

About 2-bromo-4,4-dimethylindeno[1,2-b]furan

2-bromo-4,4-dimethylindeno[1,2-b]furan (PubChem CID 156530708) has the molecular formula C13H11BrO and a molecular weight of 263.13 g/mol. Its IUPAC name is 2-bromo-4,4-dimethylindeno[1,2-b]furan.

Molecular Properties

Compound Name2-bromo-4,4-dimethylindeno[1,2-b]furan
PubChem CID156530708
Molecular FormulaC13H11BrO
Molecular Weight263.13 g/mol
Exact Mass262.00
IUPAC Name2-bromo-4,4-dimethylindeno[1,2-b]furan
SMILESCC1(C)c2ccccc2-c2oc(Br)cc21
InChIInChI=1S/C13H11BrO/c1-13(2)9-6-4-3-5-8(9)12-10(13)7-11(14)15-12/h3-7H,1-2H3
InChIKeyJDIBDWAPSDBIOH-UHFFFAOYSA-N
XLogP4.35
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.13
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,4-dimethylindeno[1,2-b]furan?
The IUPAC name of 2-bromo-4,4-dimethylindeno[1,2-b]furan (CID 156530708) is 2-bromo-4,4-dimethylindeno[1,2-b]furan.
What is the SMILES notation for 2-bromo-4,4-dimethylindeno[1,2-b]furan?
The canonical SMILES for 2-bromo-4,4-dimethylindeno[1,2-b]furan is CC1(C)c2ccccc2-c2oc(Br)cc21.
What is the InChIKey of 2-bromo-4,4-dimethylindeno[1,2-b]furan?
The InChIKey is JDIBDWAPSDBIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO/c1-13(2)9-6-4-3-5-8(9)12-10(13)7-11(14)15-12/h3-7H,1-2H3.
What are the key properties of 2-bromo-4,4-dimethylindeno[1,2-b]furan?
2-bromo-4,4-dimethylindeno[1,2-b]furan has a molecular weight of 263.13 g/mol, XLogP of 4.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,4-dimethylindeno[1,2-b]furan is sourced from PubChem (CID 156530708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).