5-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]-2,3-dihydro-1H-indene

C18H24Br2 — CID 115927245

IUPAC5-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]-2,3-dihydro-1H-indene
SMILESBrCC(CBr)(Cc1ccc2c(c1)CCC2)C1CCCC1
InChIInChI=1S/C18H24Br2/c19-12-18(13-20,17-6-1-2-7-17)11-14-8-9-15-4-3-5-16(15)10-14/h8-10,17H,1-7,11-13H2
InChIKeyMRQNPQQRCYHQOE-UHFFFAOYSA-N
MW400.20 g/mol
LogP5.68
Rot. Bonds5

About 5-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]-2,3-dihydro-1H-indene

5-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]-2,3-dihydro-1H-indene (PubChem CID 115927245) has the molecular formula C18H24Br2 and a molecular weight of 400.20 g/mol. Its IUPAC name is 5-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]-2,3-dihydro-1H-indene
PubChem CID115927245
Molecular FormulaC18H24Br2
Molecular Weight400.20 g/mol
Exact Mass398.02
IUPAC Name5-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]-2,3-dihydro-1H-indene
SMILESBrCC(CBr)(Cc1ccc2c(c1)CCC2)C1CCCC1
InChIInChI=1S/C18H24Br2/c19-12-18(13-20,17-6-1-2-7-17)11-14-8-9-15-4-3-5-16(15)10-14/h8-10,17H,1-7,11-13H2
InChIKeyMRQNPQQRCYHQOE-UHFFFAOYSA-N
XLogP5.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.20
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile
CID 116927629
1-cyclobutyl-3-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-2-ol
CID 113490172
2-cyclohexyl-1-(2,3-dihydro-1H-inden-5-ylmethylamino)propan-2-ol
CID 166350957
2-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidine
CID 80674675
2-(2,3-dihydro-1H-inden-5-ylmethyl)-2,3-dimethylbutan-1-ol
CID 83150043
6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 19914431
N-(2-bromoethyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)cyclopropanamine
CID 80669807
5-(nitrosomethyl)-2,3-dihydro-1H-indene
CID 91520615
3-(2,3-dihydro-1H-inden-5-yl)-2,2-difluoropropanoic acid
CID 116838219
1-cyclobutyl-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 64982201
2-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methylpyrrolidine
CID 102785410
2-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methylcyclohexan-1-amine
CID 102637515

Frequently Asked Questions

What is the IUPAC name of 5-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]-2,3-dihydro-1H-indene?
The IUPAC name of 5-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]-2,3-dihydro-1H-indene (CID 115927245) is 5-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]-2,3-dihydro-1H-indene?
The canonical SMILES for 5-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]-2,3-dihydro-1H-indene is BrCC(CBr)(Cc1ccc2c(c1)CCC2)C1CCCC1.
What is the InChIKey of 5-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]-2,3-dihydro-1H-indene?
The InChIKey is MRQNPQQRCYHQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Br2/c19-12-18(13-20,17-6-1-2-7-17)11-14-8-9-15-4-3-5-16(15)10-14/h8-10,17H,1-7,11-13H2.
What are the key properties of 5-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]-2,3-dihydro-1H-indene?
5-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]-2,3-dihydro-1H-indene has a molecular weight of 400.20 g/mol, XLogP of 5.68, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 115927245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).