1-(3-bromo-2-methyl-3-phenylpropyl)-2,4-dichlorobenzene

C16H15BrCl2 — CID 104846527

IUPAC1-(3-bromo-2-methyl-3-phenylpropyl)-2,4-dichlorobenzene
SMILESCC(Cc1ccc(Cl)cc1Cl)C(Br)c1ccccc1
InChIInChI=1S/C16H15BrCl2/c1-11(16(17)12-5-3-2-4-6-12)9-13-7-8-14(18)10-15(13)19/h2-8,10-11,16H,9H2,1H3
InChIKeyUUALDPSJHMPKIK-UHFFFAOYSA-N
MW358.11 g/mol
LogP6.31
Rot. Bonds4

About 1-(3-bromo-2-methyl-3-phenylpropyl)-2,4-dichlorobenzene

1-(3-bromo-2-methyl-3-phenylpropyl)-2,4-dichlorobenzene (PubChem CID 104846527) has the molecular formula C16H15BrCl2 and a molecular weight of 358.11 g/mol. Its IUPAC name is 1-(3-bromo-2-methyl-3-phenylpropyl)-2,4-dichlorobenzene.

Molecular Properties

Compound Name1-(3-bromo-2-methyl-3-phenylpropyl)-2,4-dichlorobenzene
PubChem CID104846527
Molecular FormulaC16H15BrCl2
Molecular Weight358.11 g/mol
Exact Mass355.97
IUPAC Name1-(3-bromo-2-methyl-3-phenylpropyl)-2,4-dichlorobenzene
SMILESCC(Cc1ccc(Cl)cc1Cl)C(Br)c1ccccc1
InChIInChI=1S/C16H15BrCl2/c1-11(16(17)12-5-3-2-4-6-12)9-13-7-8-14(18)10-15(13)19/h2-8,10-11,16H,9H2,1H3
InChIKeyUUALDPSJHMPKIK-UHFFFAOYSA-N
XLogP6.31
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 ≤ 56.31
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 1-(3-bromo-2-methyl-3-phenylpropyl)-2,4-dichlorobenzene?
The IUPAC name of 1-(3-bromo-2-methyl-3-phenylpropyl)-2,4-dichlorobenzene (CID 104846527) is 1-(3-bromo-2-methyl-3-phenylpropyl)-2,4-dichlorobenzene.
What is the SMILES notation for 1-(3-bromo-2-methyl-3-phenylpropyl)-2,4-dichlorobenzene?
The canonical SMILES for 1-(3-bromo-2-methyl-3-phenylpropyl)-2,4-dichlorobenzene is CC(Cc1ccc(Cl)cc1Cl)C(Br)c1ccccc1.
What is the InChIKey of 1-(3-bromo-2-methyl-3-phenylpropyl)-2,4-dichlorobenzene?
The InChIKey is UUALDPSJHMPKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrCl2/c1-11(16(17)12-5-3-2-4-6-12)9-13-7-8-14(18)10-15(13)19/h2-8,10-11,16H,9H2,1H3.
What are the key properties of 1-(3-bromo-2-methyl-3-phenylpropyl)-2,4-dichlorobenzene?
1-(3-bromo-2-methyl-3-phenylpropyl)-2,4-dichlorobenzene has a molecular weight of 358.11 g/mol, XLogP of 6.31, 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-methyl-3-phenylpropyl)-2,4-dichlorobenzene is sourced from PubChem (CID 104846527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).