5-[chloro-(2,5-dibromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene

C17H15Br2Cl — CID 81473689

IUPAC5-[chloro-(2,5-dibromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene
SMILESCc1cc(Br)c(C(Cl)c2ccc3c(c2)CCC3)cc1Br
InChIInChI=1S/C17H15Br2Cl/c1-10-7-16(19)14(9-15(10)18)17(20)13-6-5-11-3-2-4-12(11)8-13/h5-9,17H,2-4H2,1H3
InChIKeyQOUAJGUSRSZPDB-UHFFFAOYSA-N
MW414.57 g/mol
LogP6.34
Rot. Bonds2

About 5-[chloro-(2,5-dibromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene

5-[chloro-(2,5-dibromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene (PubChem CID 81473689) has the molecular formula C17H15Br2Cl and a molecular weight of 414.57 g/mol. Its IUPAC name is 5-[chloro-(2,5-dibromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-[chloro-(2,5-dibromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene
PubChem CID81473689
Molecular FormulaC17H15Br2Cl
Molecular Weight414.57 g/mol
Exact Mass411.92
IUPAC Name5-[chloro-(2,5-dibromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene
SMILESCc1cc(Br)c(C(Cl)c2ccc3c(c2)CCC3)cc1Br
InChIInChI=1S/C17H15Br2Cl/c1-10-7-16(19)14(9-15(10)18)17(20)13-6-5-11-3-2-4-12(11)8-13/h5-9,17H,2-4H2,1H3
InChIKeyQOUAJGUSRSZPDB-UHFFFAOYSA-N
XLogP6.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.57
LogP ≤ 56.34
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

1,4-dibromo-2-[(4-bromo-3-chlorophenyl)-chloromethyl]-5-methylbenzene
CID 81472967
5-[(4-bromophenyl)-chloromethyl]-2,3-dihydro-1H-indene
CID 63429122
(3-bromo-4-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
CID 81476719
1,4-dibromo-2-[(4-bromo-3-fluorophenyl)-chloromethyl]-5-methylbenzene
CID 81474193
5-[chloro-(2-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 81477360
5-[bromo-(3-bromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 81476485
2-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-3-methylfuran
CID 61086619
5-[chloro-(4-methoxy-2-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 63430106
5-[(4-bromo-2-methoxyphenyl)-chloromethyl]-2,3-dihydro-1H-indene
CID 115369816
1,4-dibromo-2-[chloro-[4-(trifluoromethyl)phenyl]methyl]-5-methylbenzene
CID 81474075
1,4-dibromo-2-[chloro-(3-fluorophenyl)methyl]-5-methylbenzene
CID 81473803
1,4-dibromo-2-[chloro-(3-iodophenyl)methyl]-5-methylbenzene
CID 81472849

Frequently Asked Questions

What is the IUPAC name of 5-[chloro-(2,5-dibromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene?
The IUPAC name of 5-[chloro-(2,5-dibromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene (CID 81473689) is 5-[chloro-(2,5-dibromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-[chloro-(2,5-dibromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene?
The canonical SMILES for 5-[chloro-(2,5-dibromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene is Cc1cc(Br)c(C(Cl)c2ccc3c(c2)CCC3)cc1Br.
What is the InChIKey of 5-[chloro-(2,5-dibromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene?
The InChIKey is QOUAJGUSRSZPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Br2Cl/c1-10-7-16(19)14(9-15(10)18)17(20)13-6-5-11-3-2-4-12(11)8-13/h5-9,17H,2-4H2,1H3.
What are the key properties of 5-[chloro-(2,5-dibromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene?
5-[chloro-(2,5-dibromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene has a molecular weight of 414.57 g/mol, XLogP of 6.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro-(2,5-dibromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 81473689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).