1-[3-bromo-2-(3-methylphenyl)propyl]-2,4-dichlorobenzene

C16H15BrCl2 — CID 79423428

IUPAC1-[3-bromo-2-(3-methylphenyl)propyl]-2,4-dichlorobenzene
SMILESCc1cccc(C(CBr)Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H15BrCl2/c1-11-3-2-4-12(7-11)14(10-17)8-13-5-6-15(18)9-16(13)19/h2-7,9,14H,8,10H2,1H3
InChIKeyFYLOIGHMLQVWRH-UHFFFAOYSA-N
MW358.11 g/mol
LogP6.02
Rot. Bonds4

About 1-[3-bromo-2-(3-methylphenyl)propyl]-2,4-dichlorobenzene

1-[3-bromo-2-(3-methylphenyl)propyl]-2,4-dichlorobenzene (PubChem CID 79423428) has the molecular formula C16H15BrCl2 and a molecular weight of 358.11 g/mol. Its IUPAC name is 1-[3-bromo-2-(3-methylphenyl)propyl]-2,4-dichlorobenzene.

Molecular Properties

Compound Name1-[3-bromo-2-(3-methylphenyl)propyl]-2,4-dichlorobenzene
PubChem CID79423428
Molecular FormulaC16H15BrCl2
Molecular Weight358.11 g/mol
Exact Mass355.97
IUPAC Name1-[3-bromo-2-(3-methylphenyl)propyl]-2,4-dichlorobenzene
SMILESCc1cccc(C(CBr)Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H15BrCl2/c1-11-3-2-4-12(7-11)14(10-17)8-13-5-6-15(18)9-16(13)19/h2-7,9,14H,8,10H2,1H3
InChIKeyFYLOIGHMLQVWRH-UHFFFAOYSA-N
XLogP6.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.11
LogP ≤ 56.02
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-[3-bromo-2-(3-fluorophenyl)propyl]-2-chloro-4-methylbenzene
CID 106870715
1-[3-bromo-2-(3-methylphenyl)propyl]-4-propan-2-ylbenzene
CID 79423568
1-[3-bromo-2-(3-chlorophenyl)propyl]-2,3-dichlorobenzene
CID 107310833
(1R)-N-[(2,4-dichlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363606
3-(2-chloro-4-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79416930
1-[3-bromo-2-(3-methylphenyl)propyl]-2-fluoro-3-methoxybenzene
CID 104795529
1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-methylbenzene
CID 79436619
1-(2,4-dichlorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 105132746
1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 106867255
1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-chlorobenzene
CID 79434327
1-[2-(bromomethyl)-3,3-dimethylbutyl]-2,4-dichlorobenzene
CID 83142051
1-[3-bromo-2-(4-chlorophenyl)propyl]-4-chloro-2-fluorobenzene
CID 114862057

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-2-(3-methylphenyl)propyl]-2,4-dichlorobenzene?
The IUPAC name of 1-[3-bromo-2-(3-methylphenyl)propyl]-2,4-dichlorobenzene (CID 79423428) is 1-[3-bromo-2-(3-methylphenyl)propyl]-2,4-dichlorobenzene.
What is the SMILES notation for 1-[3-bromo-2-(3-methylphenyl)propyl]-2,4-dichlorobenzene?
The canonical SMILES for 1-[3-bromo-2-(3-methylphenyl)propyl]-2,4-dichlorobenzene is Cc1cccc(C(CBr)Cc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 1-[3-bromo-2-(3-methylphenyl)propyl]-2,4-dichlorobenzene?
The InChIKey is FYLOIGHMLQVWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrCl2/c1-11-3-2-4-12(7-11)14(10-17)8-13-5-6-15(18)9-16(13)19/h2-7,9,14H,8,10H2,1H3.
What are the key properties of 1-[3-bromo-2-(3-methylphenyl)propyl]-2,4-dichlorobenzene?
1-[3-bromo-2-(3-methylphenyl)propyl]-2,4-dichlorobenzene has a molecular weight of 358.11 g/mol, XLogP of 6.02, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-2-(3-methylphenyl)propyl]-2,4-dichlorobenzene is sourced from PubChem (CID 79423428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).