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

C13H17Br — CID 79726786

IUPAC1-bromo-2-methyl-6-propan-2-yl-2,3-dihydro-1H-indene
SMILESCC(C)c1ccc2c(c1)C(Br)C(C)C2
InChIInChI=1S/C13H17Br/c1-8(2)10-4-5-11-6-9(3)13(14)12(11)7-10/h4-5,7-9,13H,6H2,1-3H3
InChIKeyZQRBXKODEHGHGW-UHFFFAOYSA-N
MW253.18 g/mol
LogP4.44
Rot. Bonds1

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

1-bromo-2-methyl-6-propan-2-yl-2,3-dihydro-1H-indene (PubChem CID 79726786) has the molecular formula C13H17Br and a molecular weight of 253.18 g/mol. Its IUPAC name is 1-bromo-2-methyl-6-propan-2-yl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name1-bromo-2-methyl-6-propan-2-yl-2,3-dihydro-1H-indene
PubChem CID79726786
Molecular FormulaC13H17Br
Molecular Weight253.18 g/mol
Exact Mass252.05
IUPAC Name1-bromo-2-methyl-6-propan-2-yl-2,3-dihydro-1H-indene
SMILESCC(C)c1ccc2c(c1)C(Br)C(C)C2
InChIInChI=1S/C13H17Br/c1-8(2)10-4-5-11-6-9(3)13(14)12(11)7-10/h4-5,7-9,13H,6H2,1-3H3
InChIKeyZQRBXKODEHGHGW-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-methyl-6-propan-2-yl-2,3-dihydro-1H-indene?
The IUPAC name of 1-bromo-2-methyl-6-propan-2-yl-2,3-dihydro-1H-indene (CID 79726786) is 1-bromo-2-methyl-6-propan-2-yl-2,3-dihydro-1H-indene.
What is the SMILES notation for 1-bromo-2-methyl-6-propan-2-yl-2,3-dihydro-1H-indene?
The canonical SMILES for 1-bromo-2-methyl-6-propan-2-yl-2,3-dihydro-1H-indene is CC(C)c1ccc2c(c1)C(Br)C(C)C2.
What is the InChIKey of 1-bromo-2-methyl-6-propan-2-yl-2,3-dihydro-1H-indene?
The InChIKey is ZQRBXKODEHGHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br/c1-8(2)10-4-5-11-6-9(3)13(14)12(11)7-10/h4-5,7-9,13H,6H2,1-3H3.
What are the key properties of 1-bromo-2-methyl-6-propan-2-yl-2,3-dihydro-1H-indene?
1-bromo-2-methyl-6-propan-2-yl-2,3-dihydro-1H-indene has a molecular weight of 253.18 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-methyl-6-propan-2-yl-2,3-dihydro-1H-indene is sourced from PubChem (CID 79726786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).