4-bromo-1-[(2-bromophenyl)methyl]-2,3-dihydro-1H-indene

C16H14Br2 — CID 70612738

IUPAC4-bromo-1-[(2-bromophenyl)methyl]-2,3-dihydro-1H-indene
SMILESBrc1ccccc1CC1CCc2c(Br)cccc21
InChIInChI=1S/C16H14Br2/c17-15-6-2-1-4-12(15)10-11-8-9-14-13(11)5-3-7-16(14)18/h1-7,11H,8-10H2
InChIKeyOOMJHSJNKHPSJJ-UHFFFAOYSA-N
MW366.10 g/mol
LogP5.48
Rot. Bonds2

About 4-bromo-1-[(2-bromophenyl)methyl]-2,3-dihydro-1H-indene

4-bromo-1-[(2-bromophenyl)methyl]-2,3-dihydro-1H-indene (PubChem CID 70612738) has the molecular formula C16H14Br2 and a molecular weight of 366.10 g/mol. Its IUPAC name is 4-bromo-1-[(2-bromophenyl)methyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name4-bromo-1-[(2-bromophenyl)methyl]-2,3-dihydro-1H-indene
PubChem CID70612738
Molecular FormulaC16H14Br2
Molecular Weight366.10 g/mol
Exact Mass363.95
IUPAC Name4-bromo-1-[(2-bromophenyl)methyl]-2,3-dihydro-1H-indene
SMILESBrc1ccccc1CC1CCc2c(Br)cccc21
InChIInChI=1S/C16H14Br2/c17-15-6-2-1-4-12(15)10-11-8-9-14-13(11)5-3-7-16(14)18/h1-7,11H,8-10H2
InChIKeyOOMJHSJNKHPSJJ-UHFFFAOYSA-N
XLogP5.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.10
LogP ≤ 55.48
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-bromophenyl)methyl]-2,3-dihydro-1H-indene?
The IUPAC name of 4-bromo-1-[(2-bromophenyl)methyl]-2,3-dihydro-1H-indene (CID 70612738) is 4-bromo-1-[(2-bromophenyl)methyl]-2,3-dihydro-1H-indene.
What is the SMILES notation for 4-bromo-1-[(2-bromophenyl)methyl]-2,3-dihydro-1H-indene?
The canonical SMILES for 4-bromo-1-[(2-bromophenyl)methyl]-2,3-dihydro-1H-indene is Brc1ccccc1CC1CCc2c(Br)cccc21.
What is the InChIKey of 4-bromo-1-[(2-bromophenyl)methyl]-2,3-dihydro-1H-indene?
The InChIKey is OOMJHSJNKHPSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2/c17-15-6-2-1-4-12(15)10-11-8-9-14-13(11)5-3-7-16(14)18/h1-7,11H,8-10H2.
What are the key properties of 4-bromo-1-[(2-bromophenyl)methyl]-2,3-dihydro-1H-indene?
4-bromo-1-[(2-bromophenyl)methyl]-2,3-dihydro-1H-indene has a molecular weight of 366.10 g/mol, XLogP of 5.48, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[(2-bromophenyl)methyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 70612738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).