1-bromo-3-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]benzene

C16H15Br2Cl — CID 66041720

IUPAC1-bromo-3-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]benzene
SMILESClc1cccc(CC(CBr)Cc2cccc(Br)c2)c1
InChIInChI=1S/C16H15Br2Cl/c17-11-14(7-12-3-1-5-15(18)9-12)8-13-4-2-6-16(19)10-13/h1-6,9-10,14H,7-8,11H2
InChIKeyZENIXWCKXWGNKR-UHFFFAOYSA-N
MW402.56 g/mol
LogP5.90
Rot. Bonds5

About 1-bromo-3-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]benzene

1-bromo-3-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]benzene (PubChem CID 66041720) has the molecular formula C16H15Br2Cl and a molecular weight of 402.56 g/mol. Its IUPAC name is 1-bromo-3-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]benzene.

Molecular Properties

Compound Name1-bromo-3-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]benzene
PubChem CID66041720
Molecular FormulaC16H15Br2Cl
Molecular Weight402.56 g/mol
Exact Mass399.92
IUPAC Name1-bromo-3-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]benzene
SMILESClc1cccc(CC(CBr)Cc2cccc(Br)c2)c1
InChIInChI=1S/C16H15Br2Cl/c17-11-14(7-12-3-1-5-15(18)9-12)8-13-4-2-6-16(19)10-13/h1-6,9-10,14H,7-8,11H2
InChIKeyZENIXWCKXWGNKR-UHFFFAOYSA-N
XLogP5.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.56
LogP ≤ 55.90
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-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]-3-methylbenzene
CID 66040904
1-bromo-3-[2-(bromomethyl)butyl]benzene
CID 66041649
1-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]-2,3-difluorobenzene
CID 66042525
2-[2-(bromomethyl)-3-(3-bromophenyl)propyl]-1,4-difluorobenzene
CID 66042131
2-(3-bromophenyl)-1-(3-chlorophenyl)ethanol
CID 60797873
2-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]-5-ethylthiophene
CID 66042924
2-bromo-1-[2-(bromomethyl)-3-(3-bromophenyl)propyl]-4-fluorobenzene
CID 66041927
1-[2-(bromomethyl)octyl]-3-chlorobenzene
CID 66042522
5-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]-2-methyltetrazole
CID 107058150
1-[2-(bromomethyl)-5-methoxypentyl]-3-chlorobenzene
CID 66040719
2-[2-[(3-bromophenyl)methyl]-3-chloropropyl]-1,4-dichlorobenzene
CID 66047927
2-[(3-bromophenyl)methyl]-3-(5-chloro-2-fluorophenyl)propan-1-amine
CID 103049610

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]benzene?
The IUPAC name of 1-bromo-3-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]benzene (CID 66041720) is 1-bromo-3-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]benzene.
What is the SMILES notation for 1-bromo-3-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]benzene?
The canonical SMILES for 1-bromo-3-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]benzene is Clc1cccc(CC(CBr)Cc2cccc(Br)c2)c1.
What is the InChIKey of 1-bromo-3-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]benzene?
The InChIKey is ZENIXWCKXWGNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2Cl/c17-11-14(7-12-3-1-5-15(18)9-12)8-13-4-2-6-16(19)10-13/h1-6,9-10,14H,7-8,11H2.
What are the key properties of 1-bromo-3-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]benzene?
1-bromo-3-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]benzene has a molecular weight of 402.56 g/mol, XLogP of 5.90, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]benzene is sourced from PubChem (CID 66041720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).