4-bromo-7-methyl-2,3-dihydro-1H-indene

C10H11Br — CID 22951494

IUPAC4-bromo-7-methyl-2,3-dihydro-1H-indene
SMILESCc1ccc(Br)c2c1CCC2
InChIInChI=1S/C10H11Br/c1-7-5-6-10(11)9-4-2-3-8(7)9/h5-6H,2-4H2,1H3
InChIKeyCAWHYTHDXQSWPK-UHFFFAOYSA-N
MW211.10 g/mol
LogP3.25
Rot. Bonds

About 4-bromo-7-methyl-2,3-dihydro-1H-indene

4-bromo-7-methyl-2,3-dihydro-1H-indene (PubChem CID 22951494) has the molecular formula C10H11Br and a molecular weight of 211.10 g/mol. Its IUPAC name is 4-bromo-7-methyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name4-bromo-7-methyl-2,3-dihydro-1H-indene
PubChem CID22951494
Molecular FormulaC10H11Br
Molecular Weight211.10 g/mol
Exact Mass210.00
IUPAC Name4-bromo-7-methyl-2,3-dihydro-1H-indene
SMILESCc1ccc(Br)c2c1CCC2
InChIInChI=1S/C10H11Br/c1-7-5-6-10(11)9-4-2-3-8(7)9/h5-6H,2-4H2,1H3
InChIKeyCAWHYTHDXQSWPK-UHFFFAOYSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.10
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-methyl-2,3-dihydro-1H-indene?
The IUPAC name of 4-bromo-7-methyl-2,3-dihydro-1H-indene (CID 22951494) is 4-bromo-7-methyl-2,3-dihydro-1H-indene.
What is the SMILES notation for 4-bromo-7-methyl-2,3-dihydro-1H-indene?
The canonical SMILES for 4-bromo-7-methyl-2,3-dihydro-1H-indene is Cc1ccc(Br)c2c1CCC2.
What is the InChIKey of 4-bromo-7-methyl-2,3-dihydro-1H-indene?
The InChIKey is CAWHYTHDXQSWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br/c1-7-5-6-10(11)9-4-2-3-8(7)9/h5-6H,2-4H2,1H3.
What are the key properties of 4-bromo-7-methyl-2,3-dihydro-1H-indene?
4-bromo-7-methyl-2,3-dihydro-1H-indene has a molecular weight of 211.10 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-methyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 22951494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).