4-bromo-2,2-dimethyl-1,3-dihydroindene

C11H13Br — CID 129321619

IUPAC4-bromo-2,2-dimethyl-1,3-dihydroindene
SMILESCC1(C)Cc2cccc(Br)c2C1
InChIInChI=1S/C11H13Br/c1-11(2)6-8-4-3-5-10(12)9(8)7-11/h3-5H,6-7H2,1-2H3
InChIKeyQVMDSCJJUXFOHN-UHFFFAOYSA-N
MW225.13 g/mol
LogP3.57
Rot. Bonds

About 4-bromo-2,2-dimethyl-1,3-dihydroindene

4-bromo-2,2-dimethyl-1,3-dihydroindene (PubChem CID 129321619) has the molecular formula C11H13Br and a molecular weight of 225.13 g/mol. Its IUPAC name is 4-bromo-2,2-dimethyl-1,3-dihydroindene.

Molecular Properties

Compound Name4-bromo-2,2-dimethyl-1,3-dihydroindene
PubChem CID129321619
Molecular FormulaC11H13Br
Molecular Weight225.13 g/mol
Exact Mass224.02
IUPAC Name4-bromo-2,2-dimethyl-1,3-dihydroindene
SMILESCC1(C)Cc2cccc(Br)c2C1
InChIInChI=1S/C11H13Br/c1-11(2)6-8-4-3-5-10(12)9(8)7-11/h3-5H,6-7H2,1-2H3
InChIKeyQVMDSCJJUXFOHN-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.13
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,2-dimethyl-1,3-dihydroindene?
The IUPAC name of 4-bromo-2,2-dimethyl-1,3-dihydroindene (CID 129321619) is 4-bromo-2,2-dimethyl-1,3-dihydroindene.
What is the SMILES notation for 4-bromo-2,2-dimethyl-1,3-dihydroindene?
The canonical SMILES for 4-bromo-2,2-dimethyl-1,3-dihydroindene is CC1(C)Cc2cccc(Br)c2C1.
What is the InChIKey of 4-bromo-2,2-dimethyl-1,3-dihydroindene?
The InChIKey is QVMDSCJJUXFOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br/c1-11(2)6-8-4-3-5-10(12)9(8)7-11/h3-5H,6-7H2,1-2H3.
What are the key properties of 4-bromo-2,2-dimethyl-1,3-dihydroindene?
4-bromo-2,2-dimethyl-1,3-dihydroindene has a molecular weight of 225.13 g/mol, XLogP of 3.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,2-dimethyl-1,3-dihydroindene is sourced from PubChem (CID 129321619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).