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

C12H15Br — CID 90325905

IUPAC4-bromo-1,2,7-trimethyl-2,3-dihydro-1H-indene
SMILESCc1ccc(Br)c2c1C(C)C(C)C2
InChIInChI=1S/C12H15Br/c1-7-4-5-11(13)10-6-8(2)9(3)12(7)10/h4-5,8-9H,6H2,1-3H3
InChIKeyLQTOWJNETPYSOL-UHFFFAOYSA-N
MW239.16 g/mol
LogP4.05
Rot. Bonds

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

4-bromo-1,2,7-trimethyl-2,3-dihydro-1H-indene (PubChem CID 90325905) has the molecular formula C12H15Br and a molecular weight of 239.16 g/mol. Its IUPAC name is 4-bromo-1,2,7-trimethyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name4-bromo-1,2,7-trimethyl-2,3-dihydro-1H-indene
PubChem CID90325905
Molecular FormulaC12H15Br
Molecular Weight239.16 g/mol
Exact Mass238.04
IUPAC Name4-bromo-1,2,7-trimethyl-2,3-dihydro-1H-indene
SMILESCc1ccc(Br)c2c1C(C)C(C)C2
InChIInChI=1S/C12H15Br/c1-7-4-5-11(13)10-6-8(2)9(3)12(7)10/h4-5,8-9H,6H2,1-3H3
InChIKeyLQTOWJNETPYSOL-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.16
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,2,7-trimethyl-2,3-dihydro-1H-indene?
The IUPAC name of 4-bromo-1,2,7-trimethyl-2,3-dihydro-1H-indene (CID 90325905) is 4-bromo-1,2,7-trimethyl-2,3-dihydro-1H-indene.
What is the SMILES notation for 4-bromo-1,2,7-trimethyl-2,3-dihydro-1H-indene?
The canonical SMILES for 4-bromo-1,2,7-trimethyl-2,3-dihydro-1H-indene is Cc1ccc(Br)c2c1C(C)C(C)C2.
What is the InChIKey of 4-bromo-1,2,7-trimethyl-2,3-dihydro-1H-indene?
The InChIKey is LQTOWJNETPYSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br/c1-7-4-5-11(13)10-6-8(2)9(3)12(7)10/h4-5,8-9H,6H2,1-3H3.
What are the key properties of 4-bromo-1,2,7-trimethyl-2,3-dihydro-1H-indene?
4-bromo-1,2,7-trimethyl-2,3-dihydro-1H-indene has a molecular weight of 239.16 g/mol, XLogP of 4.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,2,7-trimethyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 90325905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).