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

C16H14BrCl — CID 55192638

IUPAC1-bromo-2-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indene
SMILESClc1ccc(CC2Cc3ccccc3C2Br)cc1
InChIInChI=1S/C16H14BrCl/c17-16-13(9-11-5-7-14(18)8-6-11)10-12-3-1-2-4-15(12)16/h1-8,13,16H,9-10H2
InChIKeyQCRMVYAPPONPOF-UHFFFAOYSA-N
MW321.65 g/mol
LogP5.19
Rot. Bonds2

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

1-bromo-2-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indene (PubChem CID 55192638) has the molecular formula C16H14BrCl and a molecular weight of 321.65 g/mol. Its IUPAC name is 1-bromo-2-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name1-bromo-2-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indene
PubChem CID55192638
Molecular FormulaC16H14BrCl
Molecular Weight321.65 g/mol
Exact Mass320.00
IUPAC Name1-bromo-2-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indene
SMILESClc1ccc(CC2Cc3ccccc3C2Br)cc1
InChIInChI=1S/C16H14BrCl/c17-16-13(9-11-5-7-14(18)8-6-11)10-12-3-1-2-4-15(12)16/h1-8,13,16H,9-10H2
InChIKeyQCRMVYAPPONPOF-UHFFFAOYSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.65
LogP ≤ 55.19
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-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indene?
The IUPAC name of 1-bromo-2-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indene (CID 55192638) is 1-bromo-2-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indene.
What is the SMILES notation for 1-bromo-2-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indene?
The canonical SMILES for 1-bromo-2-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indene is Clc1ccc(CC2Cc3ccccc3C2Br)cc1.
What is the InChIKey of 1-bromo-2-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indene?
The InChIKey is QCRMVYAPPONPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrCl/c17-16-13(9-11-5-7-14(18)8-6-11)10-12-3-1-2-4-15(12)16/h1-8,13,16H,9-10H2.
What are the key properties of 1-bromo-2-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indene?
1-bromo-2-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indene has a molecular weight of 321.65 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 55192638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).