7-bromo-2,3-dimethyl-1H-indene

C11H11Br — CID 59608909

IUPAC7-bromo-2,3-dimethyl-1H-indene
SMILESCC1=C(C)c2cccc(Br)c2C1
InChIInChI=1S/C11H11Br/c1-7-6-10-9(8(7)2)4-3-5-11(10)12/h3-5H,6H2,1-2H3
InChIKeyMFQKXTFDVTWMIK-UHFFFAOYSA-N
MW223.11 g/mol
LogP3.80
Rot. Bonds

About 7-bromo-2,3-dimethyl-1H-indene

7-bromo-2,3-dimethyl-1H-indene (PubChem CID 59608909) has the molecular formula C11H11Br and a molecular weight of 223.11 g/mol. Its IUPAC name is 7-bromo-2,3-dimethyl-1H-indene.

Molecular Properties

Compound Name7-bromo-2,3-dimethyl-1H-indene
PubChem CID59608909
Molecular FormulaC11H11Br
Molecular Weight223.11 g/mol
Exact Mass222.00
IUPAC Name7-bromo-2,3-dimethyl-1H-indene
SMILESCC1=C(C)c2cccc(Br)c2C1
InChIInChI=1S/C11H11Br/c1-7-6-10-9(8(7)2)4-3-5-11(10)12/h3-5H,6H2,1-2H3
InChIKeyMFQKXTFDVTWMIK-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.11
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2,3-dimethyl-1H-indene?
The IUPAC name of 7-bromo-2,3-dimethyl-1H-indene (CID 59608909) is 7-bromo-2,3-dimethyl-1H-indene.
What is the SMILES notation for 7-bromo-2,3-dimethyl-1H-indene?
The canonical SMILES for 7-bromo-2,3-dimethyl-1H-indene is CC1=C(C)c2cccc(Br)c2C1.
What is the InChIKey of 7-bromo-2,3-dimethyl-1H-indene?
The InChIKey is MFQKXTFDVTWMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br/c1-7-6-10-9(8(7)2)4-3-5-11(10)12/h3-5H,6H2,1-2H3.
What are the key properties of 7-bromo-2,3-dimethyl-1H-indene?
7-bromo-2,3-dimethyl-1H-indene has a molecular weight of 223.11 g/mol, XLogP of 3.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2,3-dimethyl-1H-indene is sourced from PubChem (CID 59608909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).