2-bromo-4,7-dimethyl-1H-indene

C11H11Br — CID 58975409

IUPAC2-bromo-4,7-dimethyl-1H-indene
SMILESCc1ccc(C)c2c1C=C(Br)C2
InChIInChI=1S/C11H11Br/c1-7-3-4-8(2)11-6-9(12)5-10(7)11/h3-5H,6H2,1-2H3
InChIKeyNFVXDEFZPQKUOU-UHFFFAOYSA-N
MW223.11 g/mol
LogP3.60
Rot. Bonds

About 2-bromo-4,7-dimethyl-1H-indene

2-bromo-4,7-dimethyl-1H-indene (PubChem CID 58975409) has the molecular formula C11H11Br and a molecular weight of 223.11 g/mol. Its IUPAC name is 2-bromo-4,7-dimethyl-1H-indene.

Molecular Properties

Compound Name2-bromo-4,7-dimethyl-1H-indene
PubChem CID58975409
Molecular FormulaC11H11Br
Molecular Weight223.11 g/mol
Exact Mass222.00
IUPAC Name2-bromo-4,7-dimethyl-1H-indene
SMILESCc1ccc(C)c2c1C=C(Br)C2
InChIInChI=1S/C11H11Br/c1-7-3-4-8(2)11-6-9(12)5-10(7)11/h3-5H,6H2,1-2H3
InChIKeyNFVXDEFZPQKUOU-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,7-dimethyl-1H-indene?
The IUPAC name of 2-bromo-4,7-dimethyl-1H-indene (CID 58975409) is 2-bromo-4,7-dimethyl-1H-indene.
What is the SMILES notation for 2-bromo-4,7-dimethyl-1H-indene?
The canonical SMILES for 2-bromo-4,7-dimethyl-1H-indene is Cc1ccc(C)c2c1C=C(Br)C2.
What is the InChIKey of 2-bromo-4,7-dimethyl-1H-indene?
The InChIKey is NFVXDEFZPQKUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br/c1-7-3-4-8(2)11-6-9(12)5-10(7)11/h3-5H,6H2,1-2H3.
What are the key properties of 2-bromo-4,7-dimethyl-1H-indene?
2-bromo-4,7-dimethyl-1H-indene has a molecular weight of 223.11 g/mol, XLogP of 3.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,7-dimethyl-1H-indene is sourced from PubChem (CID 58975409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).