6-(bromomethyl)-3,3-dimethyl-1-phenyl-1,2-dihydroindene

C18H19Br — CID 118526484

IUPAC6-(bromomethyl)-3,3-dimethyl-1-phenyl-1,2-dihydroindene
SMILESCC1(C)CC(c2ccccc2)c2cc(CBr)ccc21
InChIInChI=1S/C18H19Br/c1-18(2)11-16(14-6-4-3-5-7-14)15-10-13(12-19)8-9-17(15)18/h3-10,16H,11-12H2,1-2H3
InChIKeyXKXQBUPTCYVVIB-UHFFFAOYSA-N
MW315.25 g/mol
LogP5.39
Rot. Bonds2

About 6-(bromomethyl)-3,3-dimethyl-1-phenyl-1,2-dihydroindene

6-(bromomethyl)-3,3-dimethyl-1-phenyl-1,2-dihydroindene (PubChem CID 118526484) has the molecular formula C18H19Br and a molecular weight of 315.25 g/mol. Its IUPAC name is 6-(bromomethyl)-3,3-dimethyl-1-phenyl-1,2-dihydroindene.

Molecular Properties

Compound Name6-(bromomethyl)-3,3-dimethyl-1-phenyl-1,2-dihydroindene
PubChem CID118526484
Molecular FormulaC18H19Br
Molecular Weight315.25 g/mol
Exact Mass314.07
IUPAC Name6-(bromomethyl)-3,3-dimethyl-1-phenyl-1,2-dihydroindene
SMILESCC1(C)CC(c2ccccc2)c2cc(CBr)ccc21
InChIInChI=1S/C18H19Br/c1-18(2)11-16(14-6-4-3-5-7-14)15-10-13(12-19)8-9-17(15)18/h3-10,16H,11-12H2,1-2H3
InChIKeyXKXQBUPTCYVVIB-UHFFFAOYSA-N
XLogP5.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.25
LogP ≤ 55.39
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 6-(bromomethyl)-3,3-dimethyl-1-phenyl-1,2-dihydroindene?
The IUPAC name of 6-(bromomethyl)-3,3-dimethyl-1-phenyl-1,2-dihydroindene (CID 118526484) is 6-(bromomethyl)-3,3-dimethyl-1-phenyl-1,2-dihydroindene.
What is the SMILES notation for 6-(bromomethyl)-3,3-dimethyl-1-phenyl-1,2-dihydroindene?
The canonical SMILES for 6-(bromomethyl)-3,3-dimethyl-1-phenyl-1,2-dihydroindene is CC1(C)CC(c2ccccc2)c2cc(CBr)ccc21.
What is the InChIKey of 6-(bromomethyl)-3,3-dimethyl-1-phenyl-1,2-dihydroindene?
The InChIKey is XKXQBUPTCYVVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Br/c1-18(2)11-16(14-6-4-3-5-7-14)15-10-13(12-19)8-9-17(15)18/h3-10,16H,11-12H2,1-2H3.
What are the key properties of 6-(bromomethyl)-3,3-dimethyl-1-phenyl-1,2-dihydroindene?
6-(bromomethyl)-3,3-dimethyl-1-phenyl-1,2-dihydroindene has a molecular weight of 315.25 g/mol, XLogP of 5.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-3,3-dimethyl-1-phenyl-1,2-dihydroindene is sourced from PubChem (CID 118526484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).