2-benzyl-1-bromo-2,3-dihydro-1H-indene

C16H15Br — CID 63470495

IUPAC2-benzyl-1-bromo-2,3-dihydro-1H-indene
SMILESBrC1c2ccccc2CC1Cc1ccccc1
InChIInChI=1S/C16H15Br/c17-16-14(10-12-6-2-1-3-7-12)11-13-8-4-5-9-15(13)16/h1-9,14,16H,10-11H2
InChIKeyXVTUOXCRXVCGPK-UHFFFAOYSA-N
MW287.20 g/mol
LogP4.54
Rot. Bonds2

About 2-benzyl-1-bromo-2,3-dihydro-1H-indene

2-benzyl-1-bromo-2,3-dihydro-1H-indene (PubChem CID 63470495) has the molecular formula C16H15Br and a molecular weight of 287.20 g/mol. Its IUPAC name is 2-benzyl-1-bromo-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name2-benzyl-1-bromo-2,3-dihydro-1H-indene
PubChem CID63470495
Molecular FormulaC16H15Br
Molecular Weight287.20 g/mol
Exact Mass286.04
IUPAC Name2-benzyl-1-bromo-2,3-dihydro-1H-indene
SMILESBrC1c2ccccc2CC1Cc1ccccc1
InChIInChI=1S/C16H15Br/c17-16-14(10-12-6-2-1-3-7-12)11-13-8-4-5-9-15(13)16/h1-9,14,16H,10-11H2
InChIKeyXVTUOXCRXVCGPK-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 54.54
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

1-bromo-2-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indene
CID 55192638
1-bromo-2-[(3-nitrophenyl)methyl]-2,3-dihydro-1H-indene
CID 63471251
1-bromo-2-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-indene
CID 55192449
N,2-dibenzyl-2,3-dihydro-1H-inden-1-amine
CID 70031705
1-bromo-2-[(2-nitrophenyl)methyl]-2,3-dihydro-1H-indene
CID 63471642
(1S)-1-bromo-2,3-dihydro-1H-inden-2-amine
CID 142687946
5-[(1-bromo-2,3-dihydro-1H-inden-2-yl)methyl]-2-methyltetrazole
CID 107052420
3-benzyl-N-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79736974
5-bromo-6-[(4-methylphenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 63471259
1-bromo-2-[(2-chloro-6-nitrophenyl)methyl]-2,3-dihydro-1H-indene
CID 63745151
1-bromo-2-[(2-fluoro-3-nitrophenyl)methyl]-2,3-dihydro-1H-indene
CID 107350555
1-bromo-2-[(3,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63473353

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-bromo-2,3-dihydro-1H-indene?
The IUPAC name of 2-benzyl-1-bromo-2,3-dihydro-1H-indene (CID 63470495) is 2-benzyl-1-bromo-2,3-dihydro-1H-indene.
What is the SMILES notation for 2-benzyl-1-bromo-2,3-dihydro-1H-indene?
The canonical SMILES for 2-benzyl-1-bromo-2,3-dihydro-1H-indene is BrC1c2ccccc2CC1Cc1ccccc1.
What is the InChIKey of 2-benzyl-1-bromo-2,3-dihydro-1H-indene?
The InChIKey is XVTUOXCRXVCGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br/c17-16-14(10-12-6-2-1-3-7-12)11-13-8-4-5-9-15(13)16/h1-9,14,16H,10-11H2.
What are the key properties of 2-benzyl-1-bromo-2,3-dihydro-1H-indene?
2-benzyl-1-bromo-2,3-dihydro-1H-indene has a molecular weight of 287.20 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-bromo-2,3-dihydro-1H-indene is sourced from PubChem (CID 63470495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).