1-[bromo-(2,2-dimethylcyclopropyl)methyl]-4-phenylbenzene

C18H19Br — CID 107002682

IUPAC1-[bromo-(2,2-dimethylcyclopropyl)methyl]-4-phenylbenzene
SMILESCC1(C)CC1C(Br)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H19Br/c1-18(2)12-16(18)17(19)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,16-17H,12H2,1-2H3
InChIKeyVJMIBXOSRIDPAE-UHFFFAOYSA-N
MW315.25 g/mol
LogP5.84
Rot. Bonds3

About 1-[bromo-(2,2-dimethylcyclopropyl)methyl]-4-phenylbenzene

1-[bromo-(2,2-dimethylcyclopropyl)methyl]-4-phenylbenzene (PubChem CID 107002682) has the molecular formula C18H19Br and a molecular weight of 315.25 g/mol. Its IUPAC name is 1-[bromo-(2,2-dimethylcyclopropyl)methyl]-4-phenylbenzene.

Molecular Properties

Compound Name1-[bromo-(2,2-dimethylcyclopropyl)methyl]-4-phenylbenzene
PubChem CID107002682
Molecular FormulaC18H19Br
Molecular Weight315.25 g/mol
Exact Mass314.07
IUPAC Name1-[bromo-(2,2-dimethylcyclopropyl)methyl]-4-phenylbenzene
SMILESCC1(C)CC1C(Br)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H19Br/c1-18(2)12-16(18)17(19)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,16-17H,12H2,1-2H3
InChIKeyVJMIBXOSRIDPAE-UHFFFAOYSA-N
XLogP5.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.25
LogP ≤ 55.84
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-(2,2-dimethylcyclopropyl)methyl]-4-chlorobenzene
CID 107002676
[bromo-(4-phenylphenyl)methyl]cycloheptane
CID 63438273
1-(3-bromobutan-2-yl)-4-phenylbenzene
CID 66469855
1-phenyl-4-[4-[1-(4-phenylphenyl)ethyl]phenyl]benzene
CID 174323056
6-[bromo-(2,2-dimethylcyclopropyl)methyl]-4H-1,4-benzoxazin-3-one
CID 107002724
1-[(2R)-1-bromopropan-2-yl]-4-phenylbenzene
CID 124511270
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
(R)-(4-phenylphenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanamine
CID 171191111
1-[(1R)-1-(4,4-dimethylcyclohexyl)-3-methylbutyl]-4-phenylbenzene
CID 145116245
7-[2-methyl-1-(4-phenylphenyl)propyl]spiro[3.5]nonane
CID 145116259
[bromo-[4-[bromo(phenyl)methyl]cyclohexyl]methyl]benzene
CID 126511399

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(2,2-dimethylcyclopropyl)methyl]-4-phenylbenzene?
The IUPAC name of 1-[bromo-(2,2-dimethylcyclopropyl)methyl]-4-phenylbenzene (CID 107002682) is 1-[bromo-(2,2-dimethylcyclopropyl)methyl]-4-phenylbenzene.
What is the SMILES notation for 1-[bromo-(2,2-dimethylcyclopropyl)methyl]-4-phenylbenzene?
The canonical SMILES for 1-[bromo-(2,2-dimethylcyclopropyl)methyl]-4-phenylbenzene is CC1(C)CC1C(Br)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[bromo-(2,2-dimethylcyclopropyl)methyl]-4-phenylbenzene?
The InChIKey is VJMIBXOSRIDPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Br/c1-18(2)12-16(18)17(19)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,16-17H,12H2,1-2H3.
What are the key properties of 1-[bromo-(2,2-dimethylcyclopropyl)methyl]-4-phenylbenzene?
1-[bromo-(2,2-dimethylcyclopropyl)methyl]-4-phenylbenzene has a molecular weight of 315.25 g/mol, XLogP of 5.84, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(2,2-dimethylcyclopropyl)methyl]-4-phenylbenzene is sourced from PubChem (CID 107002682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).