1-(2-bromo-3-methylbutyl)-4-phenylbenzene

C17H19Br — CID 82255011

IUPAC1-(2-bromo-3-methylbutyl)-4-phenylbenzene
SMILESCC(C)C(Br)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H19Br/c1-13(2)17(18)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,13,17H,12H2,1-2H3
InChIKeyFZFJLTYPYVQWAD-UHFFFAOYSA-N
MW303.24 g/mol
LogP5.32
Rot. Bonds4

About 1-(2-bromo-3-methylbutyl)-4-phenylbenzene

1-(2-bromo-3-methylbutyl)-4-phenylbenzene (PubChem CID 82255011) has the molecular formula C17H19Br and a molecular weight of 303.24 g/mol. Its IUPAC name is 1-(2-bromo-3-methylbutyl)-4-phenylbenzene.

Molecular Properties

Compound Name1-(2-bromo-3-methylbutyl)-4-phenylbenzene
PubChem CID82255011
Molecular FormulaC17H19Br
Molecular Weight303.24 g/mol
Exact Mass302.07
IUPAC Name1-(2-bromo-3-methylbutyl)-4-phenylbenzene
SMILESCC(C)C(Br)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H19Br/c1-13(2)17(18)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,13,17H,12H2,1-2H3
InChIKeyFZFJLTYPYVQWAD-UHFFFAOYSA-N
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.24
LogP ≤ 55.32
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

3-methyl-2-[(4-phenylphenyl)methyl]butanoic acid
CID 116930683
(2R)-1-(4-phenylphenyl)propan-2-ol
CID 92983269
1-phenyl-4-[1-(4-phenylphenyl)propan-2-yl]benzene
CID 142290495
3-bromo-4-(4-phenylphenyl)butan-2-one
CID 62393399
N-methyl-1-(4-phenylphenyl)propan-2-amine
CID 82540674
1-phenyl-4-(2-phenylbutyl)benzene
CID 57285163
1-(4-phenylphenyl)butan-2-amine
CID 23591877
4-(2-bromo-3-methylbutyl)-1,2-dimethylbenzene
CID 63542558
(3-bromo-2,4-dimethylpentyl)benzene
CID 79298231
2-[(4-phenylphenyl)methyl]propane-1,1,3,3-tetrol
CID 130215511
1,1'-biphenyl;1-(bromomethyl)-4-phenylbenzene
CID 174560327
2-[1-(4-phenylphenyl)propan-2-yl]isoindole-1,3-dione
CID 14368628

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-methylbutyl)-4-phenylbenzene?
The IUPAC name of 1-(2-bromo-3-methylbutyl)-4-phenylbenzene (CID 82255011) is 1-(2-bromo-3-methylbutyl)-4-phenylbenzene.
What is the SMILES notation for 1-(2-bromo-3-methylbutyl)-4-phenylbenzene?
The canonical SMILES for 1-(2-bromo-3-methylbutyl)-4-phenylbenzene is CC(C)C(Br)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(2-bromo-3-methylbutyl)-4-phenylbenzene?
The InChIKey is FZFJLTYPYVQWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br/c1-13(2)17(18)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,13,17H,12H2,1-2H3.
What are the key properties of 1-(2-bromo-3-methylbutyl)-4-phenylbenzene?
1-(2-bromo-3-methylbutyl)-4-phenylbenzene has a molecular weight of 303.24 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-methylbutyl)-4-phenylbenzene is sourced from PubChem (CID 82255011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).