1-[2-(bromomethyl)-3-methylbut-1-enyl]-4-cyclopropylbenzene

C15H19Br — CID 79976856

IUPAC1-[2-(bromomethyl)-3-methylbut-1-enyl]-4-cyclopropylbenzene
SMILESCC(C)C(=Cc1ccc(C2CC2)cc1)CBr
InChIInChI=1S/C15H19Br/c1-11(2)15(10-16)9-12-3-5-13(6-4-12)14-7-8-14/h3-6,9,11,14H,7-8,10H2,1-2H3
InChIKeyFKATVDWQIZRCJR-UHFFFAOYSA-N
MW279.22 g/mol
LogP5.00
Rot. Bonds4

About 1-[2-(bromomethyl)-3-methylbut-1-enyl]-4-cyclopropylbenzene

1-[2-(bromomethyl)-3-methylbut-1-enyl]-4-cyclopropylbenzene (PubChem CID 79976856) has the molecular formula C15H19Br and a molecular weight of 279.22 g/mol. Its IUPAC name is 1-[2-(bromomethyl)-3-methylbut-1-enyl]-4-cyclopropylbenzene.

Molecular Properties

Compound Name1-[2-(bromomethyl)-3-methylbut-1-enyl]-4-cyclopropylbenzene
PubChem CID79976856
Molecular FormulaC15H19Br
Molecular Weight279.22 g/mol
Exact Mass278.07
IUPAC Name1-[2-(bromomethyl)-3-methylbut-1-enyl]-4-cyclopropylbenzene
SMILESCC(C)C(=Cc1ccc(C2CC2)cc1)CBr
InChIInChI=1S/C15H19Br/c1-11(2)15(10-16)9-12-3-5-13(6-4-12)14-7-8-14/h3-6,9,11,14H,7-8,10H2,1-2H3
InChIKeyFKATVDWQIZRCJR-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)-3-methylbut-1-enyl]-4-cyclopropylbenzene?
The IUPAC name of 1-[2-(bromomethyl)-3-methylbut-1-enyl]-4-cyclopropylbenzene (CID 79976856) is 1-[2-(bromomethyl)-3-methylbut-1-enyl]-4-cyclopropylbenzene.
What is the SMILES notation for 1-[2-(bromomethyl)-3-methylbut-1-enyl]-4-cyclopropylbenzene?
The canonical SMILES for 1-[2-(bromomethyl)-3-methylbut-1-enyl]-4-cyclopropylbenzene is CC(C)C(=Cc1ccc(C2CC2)cc1)CBr.
What is the InChIKey of 1-[2-(bromomethyl)-3-methylbut-1-enyl]-4-cyclopropylbenzene?
The InChIKey is FKATVDWQIZRCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Br/c1-11(2)15(10-16)9-12-3-5-13(6-4-12)14-7-8-14/h3-6,9,11,14H,7-8,10H2,1-2H3.
What are the key properties of 1-[2-(bromomethyl)-3-methylbut-1-enyl]-4-cyclopropylbenzene?
1-[2-(bromomethyl)-3-methylbut-1-enyl]-4-cyclopropylbenzene has a molecular weight of 279.22 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)-3-methylbut-1-enyl]-4-cyclopropylbenzene is sourced from PubChem (CID 79976856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).