[bromo-[4-[bromo(phenyl)methyl]cyclohexyl]methyl]benzene

C20H22Br2 — CID 126511399

IUPAC[bromo-[4-[bromo(phenyl)methyl]cyclohexyl]methyl]benzene
SMILESBrC(c1ccccc1)C1CCC(C(Br)c2ccccc2)CC1
InChIInChI=1S/C20H22Br2/c21-19(15-7-3-1-4-8-15)17-11-13-18(14-12-17)20(22)16-9-5-2-6-10-16/h1-10,17-20H,11-14H2
InChIKeyRRSZAFCSEHCFGA-UHFFFAOYSA-N
MW422.20 g/mol
LogP7.07
Rot. Bonds4

About [bromo-[4-[bromo(phenyl)methyl]cyclohexyl]methyl]benzene

[bromo-[4-[bromo(phenyl)methyl]cyclohexyl]methyl]benzene (PubChem CID 126511399) has the molecular formula C20H22Br2 and a molecular weight of 422.20 g/mol. Its IUPAC name is [bromo-[4-[bromo(phenyl)methyl]cyclohexyl]methyl]benzene.

Molecular Properties

Compound Name[bromo-[4-[bromo(phenyl)methyl]cyclohexyl]methyl]benzene
PubChem CID126511399
Molecular FormulaC20H22Br2
Molecular Weight422.20 g/mol
Exact Mass420.01
IUPAC Name[bromo-[4-[bromo(phenyl)methyl]cyclohexyl]methyl]benzene
SMILESBrC(c1ccccc1)C1CCC(C(Br)c2ccccc2)CC1
InChIInChI=1S/C20H22Br2/c21-19(15-7-3-1-4-8-15)17-11-13-18(14-12-17)20(22)16-9-5-2-6-10-16/h1-10,17-20H,11-14H2
InChIKeyRRSZAFCSEHCFGA-UHFFFAOYSA-N
XLogP7.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.20
LogP ≤ 57.07
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 [bromo-[4-[bromo(phenyl)methyl]cyclohexyl]methyl]benzene?
The IUPAC name of [bromo-[4-[bromo(phenyl)methyl]cyclohexyl]methyl]benzene (CID 126511399) is [bromo-[4-[bromo(phenyl)methyl]cyclohexyl]methyl]benzene.
What is the SMILES notation for [bromo-[4-[bromo(phenyl)methyl]cyclohexyl]methyl]benzene?
The canonical SMILES for [bromo-[4-[bromo(phenyl)methyl]cyclohexyl]methyl]benzene is BrC(c1ccccc1)C1CCC(C(Br)c2ccccc2)CC1.
What is the InChIKey of [bromo-[4-[bromo(phenyl)methyl]cyclohexyl]methyl]benzene?
The InChIKey is RRSZAFCSEHCFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Br2/c21-19(15-7-3-1-4-8-15)17-11-13-18(14-12-17)20(22)16-9-5-2-6-10-16/h1-10,17-20H,11-14H2.
What are the key properties of [bromo-[4-[bromo(phenyl)methyl]cyclohexyl]methyl]benzene?
[bromo-[4-[bromo(phenyl)methyl]cyclohexyl]methyl]benzene has a molecular weight of 422.20 g/mol, XLogP of 7.07, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [bromo-[4-[bromo(phenyl)methyl]cyclohexyl]methyl]benzene is sourced from PubChem (CID 126511399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).