1-(4-bromobut-1-enyl)-4-(bromomethyl)benzene

C11H12Br2 — CID 170498464

IUPAC1-(4-bromobut-1-enyl)-4-(bromomethyl)benzene
SMILESBrCCC=Cc1ccc(CBr)cc1
InChIInChI=1S/C11H12Br2/c12-8-2-1-3-10-4-6-11(9-13)7-5-10/h1,3-7H,2,8-9H2
InChIKeyRGXVCQCUKPSFRD-UHFFFAOYSA-N
MW304.03 g/mol
LogP4.38
Rot. Bonds4

About 1-(4-bromobut-1-enyl)-4-(bromomethyl)benzene

1-(4-bromobut-1-enyl)-4-(bromomethyl)benzene (PubChem CID 170498464) has the molecular formula C11H12Br2 and a molecular weight of 304.03 g/mol. Its IUPAC name is 1-(4-bromobut-1-enyl)-4-(bromomethyl)benzene.

Molecular Properties

Compound Name1-(4-bromobut-1-enyl)-4-(bromomethyl)benzene
PubChem CID170498464
Molecular FormulaC11H12Br2
Molecular Weight304.03 g/mol
Exact Mass301.93
IUPAC Name1-(4-bromobut-1-enyl)-4-(bromomethyl)benzene
SMILESBrCCC=Cc1ccc(CBr)cc1
InChIInChI=1S/C11H12Br2/c12-8-2-1-3-10-4-6-11(9-13)7-5-10/h1,3-7H,2,8-9H2
InChIKeyRGXVCQCUKPSFRD-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.03
LogP ≤ 54.38
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-(4-bromobut-1-enyl)-4-(bromomethyl)benzene?
The IUPAC name of 1-(4-bromobut-1-enyl)-4-(bromomethyl)benzene (CID 170498464) is 1-(4-bromobut-1-enyl)-4-(bromomethyl)benzene.
What is the SMILES notation for 1-(4-bromobut-1-enyl)-4-(bromomethyl)benzene?
The canonical SMILES for 1-(4-bromobut-1-enyl)-4-(bromomethyl)benzene is BrCCC=Cc1ccc(CBr)cc1.
What is the InChIKey of 1-(4-bromobut-1-enyl)-4-(bromomethyl)benzene?
The InChIKey is RGXVCQCUKPSFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2/c12-8-2-1-3-10-4-6-11(9-13)7-5-10/h1,3-7H,2,8-9H2.
What are the key properties of 1-(4-bromobut-1-enyl)-4-(bromomethyl)benzene?
1-(4-bromobut-1-enyl)-4-(bromomethyl)benzene has a molecular weight of 304.03 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromobut-1-enyl)-4-(bromomethyl)benzene is sourced from PubChem (CID 170498464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).