5-[bromo-(2,5-dichlorophenyl)methyl]-2,3-dihydro-1H-indene

C16H13BrCl2 — CID 63440957

IUPAC5-[bromo-(2,5-dichlorophenyl)methyl]-2,3-dihydro-1H-indene
SMILESClc1ccc(Cl)c(C(Br)c2ccc3c(c2)CCC3)c1
InChIInChI=1S/C16H13BrCl2/c17-16(14-9-13(18)6-7-15(14)19)12-5-4-10-2-1-3-11(10)8-12/h4-9,16H,1-3H2
InChIKeyVMQCTDJHJHXTGN-UHFFFAOYSA-N
MW356.09 g/mol
LogP5.97
Rot. Bonds2

About 5-[bromo-(2,5-dichlorophenyl)methyl]-2,3-dihydro-1H-indene

5-[bromo-(2,5-dichlorophenyl)methyl]-2,3-dihydro-1H-indene (PubChem CID 63440957) has the molecular formula C16H13BrCl2 and a molecular weight of 356.09 g/mol. Its IUPAC name is 5-[bromo-(2,5-dichlorophenyl)methyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-[bromo-(2,5-dichlorophenyl)methyl]-2,3-dihydro-1H-indene
PubChem CID63440957
Molecular FormulaC16H13BrCl2
Molecular Weight356.09 g/mol
Exact Mass353.96
IUPAC Name5-[bromo-(2,5-dichlorophenyl)methyl]-2,3-dihydro-1H-indene
SMILESClc1ccc(Cl)c(C(Br)c2ccc3c(c2)CCC3)c1
InChIInChI=1S/C16H13BrCl2/c17-16(14-9-13(18)6-7-15(14)19)12-5-4-10-2-1-3-11(10)8-12/h4-9,16H,1-3H2
InChIKeyVMQCTDJHJHXTGN-UHFFFAOYSA-N
XLogP5.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.09
LogP ≤ 55.97
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

2-[bromo-(4-chlorophenyl)methyl]-1,4-dichlorobenzene
CID 63437551
6-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 107991592
5-[bromo-(2,3-dichlorophenyl)methyl]-2,3-dihydro-1H-indene
CID 63440400
5-[bromo-(4-bromophenyl)methyl]-2,3-dihydro-1H-indene
CID 63439245
5-[bromo-(2,3-difluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 55198009
[(2-bromo-5-chlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]hydrazine
CID 114195282
5-[bromo-(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 63437148
6-[bromo-(3-bromo-4-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 107957814
5-[chloro-(4-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 63432035
6-[bromo-(2-chloro-6-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63439442
2-[bromo-(4-methoxyphenyl)methyl]-1,4-dichlorobenzene
CID 63436956
6-[bromo-(2,5-dibromophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 114374963

Frequently Asked Questions

What is the IUPAC name of 5-[bromo-(2,5-dichlorophenyl)methyl]-2,3-dihydro-1H-indene?
The IUPAC name of 5-[bromo-(2,5-dichlorophenyl)methyl]-2,3-dihydro-1H-indene (CID 63440957) is 5-[bromo-(2,5-dichlorophenyl)methyl]-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-[bromo-(2,5-dichlorophenyl)methyl]-2,3-dihydro-1H-indene?
The canonical SMILES for 5-[bromo-(2,5-dichlorophenyl)methyl]-2,3-dihydro-1H-indene is Clc1ccc(Cl)c(C(Br)c2ccc3c(c2)CCC3)c1.
What is the InChIKey of 5-[bromo-(2,5-dichlorophenyl)methyl]-2,3-dihydro-1H-indene?
The InChIKey is VMQCTDJHJHXTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrCl2/c17-16(14-9-13(18)6-7-15(14)19)12-5-4-10-2-1-3-11(10)8-12/h4-9,16H,1-3H2.
What are the key properties of 5-[bromo-(2,5-dichlorophenyl)methyl]-2,3-dihydro-1H-indene?
5-[bromo-(2,5-dichlorophenyl)methyl]-2,3-dihydro-1H-indene has a molecular weight of 356.09 g/mol, XLogP of 5.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bromo-(2,5-dichlorophenyl)methyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 63440957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).