5-(1-bromo-2-phenylethyl)-2,3-dihydro-1H-indene

C17H17Br — CID 63440354

IUPAC5-(1-bromo-2-phenylethyl)-2,3-dihydro-1H-indene
SMILESBrC(Cc1ccccc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H17Br/c18-17(11-13-5-2-1-3-6-13)16-10-9-14-7-4-8-15(14)12-16/h1-3,5-6,9-10,12,17H,4,7-8,11H2
InChIKeyJVBPYYUYQXIOCG-UHFFFAOYSA-N
MW301.23 g/mol
LogP4.85
Rot. Bonds3

About 5-(1-bromo-2-phenylethyl)-2,3-dihydro-1H-indene

5-(1-bromo-2-phenylethyl)-2,3-dihydro-1H-indene (PubChem CID 63440354) has the molecular formula C17H17Br and a molecular weight of 301.23 g/mol. Its IUPAC name is 5-(1-bromo-2-phenylethyl)-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-(1-bromo-2-phenylethyl)-2,3-dihydro-1H-indene
PubChem CID63440354
Molecular FormulaC17H17Br
Molecular Weight301.23 g/mol
Exact Mass300.05
IUPAC Name5-(1-bromo-2-phenylethyl)-2,3-dihydro-1H-indene
SMILESBrC(Cc1ccccc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H17Br/c18-17(11-13-5-2-1-3-6-13)16-10-9-14-7-4-8-15(14)12-16/h1-3,5-6,9-10,12,17H,4,7-8,11H2
InChIKeyJVBPYYUYQXIOCG-UHFFFAOYSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 54.85
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 5-(1-bromo-2-phenylethyl)-2,3-dihydro-1H-indene?
The IUPAC name of 5-(1-bromo-2-phenylethyl)-2,3-dihydro-1H-indene (CID 63440354) is 5-(1-bromo-2-phenylethyl)-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-(1-bromo-2-phenylethyl)-2,3-dihydro-1H-indene?
The canonical SMILES for 5-(1-bromo-2-phenylethyl)-2,3-dihydro-1H-indene is BrC(Cc1ccccc1)c1ccc2c(c1)CCC2.
What is the InChIKey of 5-(1-bromo-2-phenylethyl)-2,3-dihydro-1H-indene?
The InChIKey is JVBPYYUYQXIOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Br/c18-17(11-13-5-2-1-3-6-13)16-10-9-14-7-4-8-15(14)12-16/h1-3,5-6,9-10,12,17H,4,7-8,11H2.
What are the key properties of 5-(1-bromo-2-phenylethyl)-2,3-dihydro-1H-indene?
5-(1-bromo-2-phenylethyl)-2,3-dihydro-1H-indene has a molecular weight of 301.23 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-bromo-2-phenylethyl)-2,3-dihydro-1H-indene is sourced from PubChem (CID 63440354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).