1-[2-bromo-2-(2-methylcyclopropyl)ethyl]-4-chlorobenzene

C12H14BrCl — CID 63542272

IUPAC1-[2-bromo-2-(2-methylcyclopropyl)ethyl]-4-chlorobenzene
SMILESCC1CC1C(Br)Cc1ccc(Cl)cc1
InChIInChI=1S/C12H14BrCl/c1-8-6-11(8)12(13)7-9-2-4-10(14)5-3-9/h2-5,8,11-12H,6-7H2,1H3
InChIKeyXFTDWBDTVYBPPJ-UHFFFAOYSA-N
MW273.60 g/mol
LogP4.30
Rot. Bonds3

About 1-[2-bromo-2-(2-methylcyclopropyl)ethyl]-4-chlorobenzene

1-[2-bromo-2-(2-methylcyclopropyl)ethyl]-4-chlorobenzene (PubChem CID 63542272) has the molecular formula C12H14BrCl and a molecular weight of 273.60 g/mol. Its IUPAC name is 1-[2-bromo-2-(2-methylcyclopropyl)ethyl]-4-chlorobenzene.

Molecular Properties

Compound Name1-[2-bromo-2-(2-methylcyclopropyl)ethyl]-4-chlorobenzene
PubChem CID63542272
Molecular FormulaC12H14BrCl
Molecular Weight273.60 g/mol
Exact Mass272.00
IUPAC Name1-[2-bromo-2-(2-methylcyclopropyl)ethyl]-4-chlorobenzene
SMILESCC1CC1C(Br)Cc1ccc(Cl)cc1
InChIInChI=1S/C12H14BrCl/c1-8-6-11(8)12(13)7-9-2-4-10(14)5-3-9/h2-5,8,11-12H,6-7H2,1H3
InChIKeyXFTDWBDTVYBPPJ-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.60
LogP ≤ 54.30
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

4-[1-bromo-2-(4-chlorophenyl)ethyl]-2-methyloxolane
CID 114823010
[2-(4-chlorophenyl)-1-(2-methylcyclopropyl)ethyl]hydrazine
CID 105235074
1-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]-4-chlorobenzene
CID 107003135
3-[1-bromo-2-(4-chlorophenyl)ethyl]thiolane 1,1-dioxide
CID 64904597
1-(2-bromo-3-cyclopropylbutyl)-4-chlorobenzene
CID 83151006
1-chloro-4-[chloro-(2-methylcyclopropyl)methyl]benzene
CID 61083136
3-[1-bromo-2-(4-chlorophenyl)ethyl]oxane
CID 63015468
(S)-(4-chlorophenyl)-[(1R,2S)-2-methylcyclopropyl]methanamine
CID 93262194
(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methanamine
CID 99724266
(2S)-3-chloro-4-(4-chlorophenyl)butan-2-ol
CID 131029128
1-(4-chlorophenyl)-3-methylbutan-2-ol
CID 60797754
1-(2-bromo-4,4-dimethylpentyl)-4-chlorobenzene
CID 63543129

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-2-(2-methylcyclopropyl)ethyl]-4-chlorobenzene?
The IUPAC name of 1-[2-bromo-2-(2-methylcyclopropyl)ethyl]-4-chlorobenzene (CID 63542272) is 1-[2-bromo-2-(2-methylcyclopropyl)ethyl]-4-chlorobenzene.
What is the SMILES notation for 1-[2-bromo-2-(2-methylcyclopropyl)ethyl]-4-chlorobenzene?
The canonical SMILES for 1-[2-bromo-2-(2-methylcyclopropyl)ethyl]-4-chlorobenzene is CC1CC1C(Br)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-bromo-2-(2-methylcyclopropyl)ethyl]-4-chlorobenzene?
The InChIKey is XFTDWBDTVYBPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrCl/c1-8-6-11(8)12(13)7-9-2-4-10(14)5-3-9/h2-5,8,11-12H,6-7H2,1H3.
What are the key properties of 1-[2-bromo-2-(2-methylcyclopropyl)ethyl]-4-chlorobenzene?
1-[2-bromo-2-(2-methylcyclopropyl)ethyl]-4-chlorobenzene has a molecular weight of 273.60 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-2-(2-methylcyclopropyl)ethyl]-4-chlorobenzene is sourced from PubChem (CID 63542272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).