5-bromo-6-propan-2-yl-2,3-dihydro-1H-indene

C12H15Br — CID 90144700

IUPAC5-bromo-6-propan-2-yl-2,3-dihydro-1H-indene
SMILESCC(C)c1cc2c(cc1Br)CCC2
InChIInChI=1S/C12H15Br/c1-8(2)11-6-9-4-3-5-10(9)7-12(11)13/h6-8H,3-5H2,1-2H3
InChIKeyQNKGSGASTBIQFO-UHFFFAOYSA-N
MW239.16 g/mol
LogP4.06
Rot. Bonds1

About 5-bromo-6-propan-2-yl-2,3-dihydro-1H-indene

5-bromo-6-propan-2-yl-2,3-dihydro-1H-indene (PubChem CID 90144700) has the molecular formula C12H15Br and a molecular weight of 239.16 g/mol. Its IUPAC name is 5-bromo-6-propan-2-yl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-bromo-6-propan-2-yl-2,3-dihydro-1H-indene
PubChem CID90144700
Molecular FormulaC12H15Br
Molecular Weight239.16 g/mol
Exact Mass238.04
IUPAC Name5-bromo-6-propan-2-yl-2,3-dihydro-1H-indene
SMILESCC(C)c1cc2c(cc1Br)CCC2
InChIInChI=1S/C12H15Br/c1-8(2)11-6-9-4-3-5-10(9)7-12(11)13/h6-8H,3-5H2,1-2H3
InChIKeyQNKGSGASTBIQFO-UHFFFAOYSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.16
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-propan-2-yl-2,3-dihydro-1H-indene?
The IUPAC name of 5-bromo-6-propan-2-yl-2,3-dihydro-1H-indene (CID 90144700) is 5-bromo-6-propan-2-yl-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-bromo-6-propan-2-yl-2,3-dihydro-1H-indene?
The canonical SMILES for 5-bromo-6-propan-2-yl-2,3-dihydro-1H-indene is CC(C)c1cc2c(cc1Br)CCC2.
What is the InChIKey of 5-bromo-6-propan-2-yl-2,3-dihydro-1H-indene?
The InChIKey is QNKGSGASTBIQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br/c1-8(2)11-6-9-4-3-5-10(9)7-12(11)13/h6-8H,3-5H2,1-2H3.
What are the key properties of 5-bromo-6-propan-2-yl-2,3-dihydro-1H-indene?
5-bromo-6-propan-2-yl-2,3-dihydro-1H-indene has a molecular weight of 239.16 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-propan-2-yl-2,3-dihydro-1H-indene is sourced from PubChem (CID 90144700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).