4-(4-bromo-4-phenylbutyl)-1,2-dichlorobenzene

C16H15BrCl2 — CID 64506775

IUPAC4-(4-bromo-4-phenylbutyl)-1,2-dichlorobenzene
SMILESClc1ccc(CCCC(Br)c2ccccc2)cc1Cl
InChIInChI=1S/C16H15BrCl2/c17-14(13-6-2-1-3-7-13)8-4-5-12-9-10-15(18)16(19)11-12/h1-3,6-7,9-11,14H,4-5,8H2
InChIKeyBTSAROLQNGDBJK-UHFFFAOYSA-N
MW358.11 g/mol
LogP6.45
Rot. Bonds5

About 4-(4-bromo-4-phenylbutyl)-1,2-dichlorobenzene

4-(4-bromo-4-phenylbutyl)-1,2-dichlorobenzene (PubChem CID 64506775) has the molecular formula C16H15BrCl2 and a molecular weight of 358.11 g/mol. Its IUPAC name is 4-(4-bromo-4-phenylbutyl)-1,2-dichlorobenzene.

Molecular Properties

Compound Name4-(4-bromo-4-phenylbutyl)-1,2-dichlorobenzene
PubChem CID64506775
Molecular FormulaC16H15BrCl2
Molecular Weight358.11 g/mol
Exact Mass355.97
IUPAC Name4-(4-bromo-4-phenylbutyl)-1,2-dichlorobenzene
SMILESClc1ccc(CCCC(Br)c2ccccc2)cc1Cl
InChIInChI=1S/C16H15BrCl2/c17-14(13-6-2-1-3-7-13)8-4-5-12-9-10-15(18)16(19)11-12/h1-3,6-7,9-11,14H,4-5,8H2
InChIKeyBTSAROLQNGDBJK-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.11
LogP ≤ 56.45
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

5-(4-bromo-4-phenylbutyl)-2,3-dihydro-1H-indene
CID 64507895
1-(4-bromo-4-phenylbutyl)-3-(trifluoromethyl)benzene
CID 64506557
1-(3-bromo-3-phenylpropyl)-4-chlorobenzene
CID 63472364
3-(3,4-dichlorophenyl)-N-methyl-1-phenylpropan-1-amine
CID 63400103
1-(4-bromo-4-phenylbutyl)-4-chloro-2-fluorobenzene
CID 114860167
4-(4-chloro-3-fluorophenyl)-1-phenylbutan-1-ol
CID 107888245
1,2-dichloro-4-(4-chloroheptyl)benzene
CID 64516622
4-[2-bromo-2-(4-chlorophenyl)ethyl]-1,2-dichlorobenzene
CID 63437197
1-bromo-4-(3-bromo-3-phenylpropyl)benzene
CID 63471599
1-(3-bromo-3-phenylpropyl)-4-iodobenzene
CID 65476727
2-(4-bromo-4-phenylbutyl)-1,4-dimethylbenzene
CID 64508120
4-[2-bromo-2-(4-methylphenyl)ethyl]-1,2-dichlorobenzene
CID 63437434

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-4-phenylbutyl)-1,2-dichlorobenzene?
The IUPAC name of 4-(4-bromo-4-phenylbutyl)-1,2-dichlorobenzene (CID 64506775) is 4-(4-bromo-4-phenylbutyl)-1,2-dichlorobenzene.
What is the SMILES notation for 4-(4-bromo-4-phenylbutyl)-1,2-dichlorobenzene?
The canonical SMILES for 4-(4-bromo-4-phenylbutyl)-1,2-dichlorobenzene is Clc1ccc(CCCC(Br)c2ccccc2)cc1Cl.
What is the InChIKey of 4-(4-bromo-4-phenylbutyl)-1,2-dichlorobenzene?
The InChIKey is BTSAROLQNGDBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrCl2/c17-14(13-6-2-1-3-7-13)8-4-5-12-9-10-15(18)16(19)11-12/h1-3,6-7,9-11,14H,4-5,8H2.
What are the key properties of 4-(4-bromo-4-phenylbutyl)-1,2-dichlorobenzene?
4-(4-bromo-4-phenylbutyl)-1,2-dichlorobenzene has a molecular weight of 358.11 g/mol, XLogP of 6.45, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-4-phenylbutyl)-1,2-dichlorobenzene is sourced from PubChem (CID 64506775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).