1-bromo-3-[1-bromo-2-(4-methylphenyl)ethyl]-5-chlorobenzene

C15H13Br2Cl — CID 107958041

IUPAC1-bromo-3-[1-bromo-2-(4-methylphenyl)ethyl]-5-chlorobenzene
SMILESCc1ccc(CC(Br)c2cc(Cl)cc(Br)c2)cc1
InChIInChI=1S/C15H13Br2Cl/c1-10-2-4-11(5-3-10)6-15(17)12-7-13(16)9-14(18)8-12/h2-5,7-9,15H,6H2,1H3
InChIKeyHTSDWJDAKFTCSP-UHFFFAOYSA-N
MW388.53 g/mol
LogP6.09
Rot. Bonds3

About 1-bromo-3-[1-bromo-2-(4-methylphenyl)ethyl]-5-chlorobenzene

1-bromo-3-[1-bromo-2-(4-methylphenyl)ethyl]-5-chlorobenzene (PubChem CID 107958041) has the molecular formula C15H13Br2Cl and a molecular weight of 388.53 g/mol. Its IUPAC name is 1-bromo-3-[1-bromo-2-(4-methylphenyl)ethyl]-5-chlorobenzene.

Molecular Properties

Compound Name1-bromo-3-[1-bromo-2-(4-methylphenyl)ethyl]-5-chlorobenzene
PubChem CID107958041
Molecular FormulaC15H13Br2Cl
Molecular Weight388.53 g/mol
Exact Mass385.91
IUPAC Name1-bromo-3-[1-bromo-2-(4-methylphenyl)ethyl]-5-chlorobenzene
SMILESCc1ccc(CC(Br)c2cc(Cl)cc(Br)c2)cc1
InChIInChI=1S/C15H13Br2Cl/c1-10-2-4-11(5-3-10)6-15(17)12-7-13(16)9-14(18)8-12/h2-5,7-9,15H,6H2,1H3
InChIKeyHTSDWJDAKFTCSP-UHFFFAOYSA-N
XLogP6.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.53
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-bromo-3-[1-bromo-2-(4-methylphenyl)ethyl]-5-chlorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-bromo-2-(4-methylphenyl)ethyl]-1,2-dichlorobenzene
CID 63437434
4-[1-bromo-2-(4-methylphenyl)ethyl]-1,2-difluorobenzene
CID 55218629
4-[2-bromo-2-(3,5-dichlorophenyl)ethyl]pyridine
CID 66452456
1-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-3,5-dichlorobenzene
CID 63529429
1-(3,5-dibromophenyl)-2-(4-methylphenyl)ethanamine
CID 107973615
1-(3,5-dichlorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 63526721
1,3-dibromo-5-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 107981106
2-(4-bromophenyl)-1-(3-chloro-5-methylphenyl)ethanamine
CID 81323419
1-(3-bromo-5-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 107947332
1-[1-bromo-2-(4-chlorophenyl)ethyl]-3-chlorobenzene
CID 63543130
1-(3-bromo-5-chlorophenyl)-N-methyl-2-phenylethanamine
CID 114019196
1-(3-bromo-5-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethanol
CID 107957878

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[1-bromo-2-(4-methylphenyl)ethyl]-5-chlorobenzene?
The IUPAC name of 1-bromo-3-[1-bromo-2-(4-methylphenyl)ethyl]-5-chlorobenzene (CID 107958041) is 1-bromo-3-[1-bromo-2-(4-methylphenyl)ethyl]-5-chlorobenzene.
What is the SMILES notation for 1-bromo-3-[1-bromo-2-(4-methylphenyl)ethyl]-5-chlorobenzene?
The canonical SMILES for 1-bromo-3-[1-bromo-2-(4-methylphenyl)ethyl]-5-chlorobenzene is Cc1ccc(CC(Br)c2cc(Cl)cc(Br)c2)cc1.
What is the InChIKey of 1-bromo-3-[1-bromo-2-(4-methylphenyl)ethyl]-5-chlorobenzene?
The InChIKey is HTSDWJDAKFTCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2Cl/c1-10-2-4-11(5-3-10)6-15(17)12-7-13(16)9-14(18)8-12/h2-5,7-9,15H,6H2,1H3.
What are the key properties of 1-bromo-3-[1-bromo-2-(4-methylphenyl)ethyl]-5-chlorobenzene?
1-bromo-3-[1-bromo-2-(4-methylphenyl)ethyl]-5-chlorobenzene has a molecular weight of 388.53 g/mol, XLogP of 6.09, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[1-bromo-2-(4-methylphenyl)ethyl]-5-chlorobenzene is sourced from PubChem (CID 107958041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).