1-[bromo(phenyl)methyl]-4-(2-methylpropyl)benzene

C17H19Br — CID 19010746

IUPAC1-[bromo(phenyl)methyl]-4-(2-methylpropyl)benzene
SMILESCC(C)Cc1ccc(C(Br)c2ccccc2)cc1
InChIInChI=1S/C17H19Br/c1-13(2)12-14-8-10-16(11-9-14)17(18)15-6-4-3-5-7-15/h3-11,13,17H,12H2,1-2H3
InChIKeyFCCZZWAYLSPWPP-UHFFFAOYSA-N
MW303.24 g/mol
LogP5.37
Rot. Bonds4

About 1-[bromo(phenyl)methyl]-4-(2-methylpropyl)benzene

1-[bromo(phenyl)methyl]-4-(2-methylpropyl)benzene (PubChem CID 19010746) has the molecular formula C17H19Br and a molecular weight of 303.24 g/mol. Its IUPAC name is 1-[bromo(phenyl)methyl]-4-(2-methylpropyl)benzene.

Molecular Properties

Compound Name1-[bromo(phenyl)methyl]-4-(2-methylpropyl)benzene
PubChem CID19010746
Molecular FormulaC17H19Br
Molecular Weight303.24 g/mol
Exact Mass302.07
IUPAC Name1-[bromo(phenyl)methyl]-4-(2-methylpropyl)benzene
SMILESCC(C)Cc1ccc(C(Br)c2ccccc2)cc1
InChIInChI=1S/C17H19Br/c1-13(2)12-14-8-10-16(11-9-14)17(18)15-6-4-3-5-7-15/h3-11,13,17H,12H2,1-2H3
InChIKeyFCCZZWAYLSPWPP-UHFFFAOYSA-N
XLogP5.37
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 ≤ 55.37
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-[bromo-(4-ethylphenyl)methyl]-4-(2-methylpropyl)benzene
CID 63435881
[4-(2-methylpropyl)phenyl]-phenylmethanamine
CID 43198176
ethane;2-methylpropylbenzene
CID 162200929
2-bromo-4-[bromo-[4-(2-methylpropyl)phenyl]methyl]-1-chlorobenzene
CID 107991588
1-(2-methylpropyl)-4-(2-phenylethyl)benzene
CID 56625667
1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622
1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2,3-difluorobenzene
CID 63439256
2-bromo-5-[bromo-[4-(2-methylpropyl)phenyl]methyl]furan
CID 63435879
1-[(2S)-1-bromopropan-2-yl]-4-(2-methylpropyl)benzene
CID 11043315
1,4-bis(2-phenylpropyl)benzene
CID 19376086
1-fluoro-4-(2-methylpropyl)benzene;2-methylpropylbenzene
CID 145233135
4-bromo-1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2-methylbenzene
CID 63436054

Frequently Asked Questions

What is the IUPAC name of 1-[bromo(phenyl)methyl]-4-(2-methylpropyl)benzene?
The IUPAC name of 1-[bromo(phenyl)methyl]-4-(2-methylpropyl)benzene (CID 19010746) is 1-[bromo(phenyl)methyl]-4-(2-methylpropyl)benzene.
What is the SMILES notation for 1-[bromo(phenyl)methyl]-4-(2-methylpropyl)benzene?
The canonical SMILES for 1-[bromo(phenyl)methyl]-4-(2-methylpropyl)benzene is CC(C)Cc1ccc(C(Br)c2ccccc2)cc1.
What is the InChIKey of 1-[bromo(phenyl)methyl]-4-(2-methylpropyl)benzene?
The InChIKey is FCCZZWAYLSPWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br/c1-13(2)12-14-8-10-16(11-9-14)17(18)15-6-4-3-5-7-15/h3-11,13,17H,12H2,1-2H3.
What are the key properties of 1-[bromo(phenyl)methyl]-4-(2-methylpropyl)benzene?
1-[bromo(phenyl)methyl]-4-(2-methylpropyl)benzene has a molecular weight of 303.24 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo(phenyl)methyl]-4-(2-methylpropyl)benzene is sourced from PubChem (CID 19010746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).