1-(bromomethyl)-2-(2-ethenylphenyl)benzene

C15H13Br — CID 59170382

IUPAC1-(bromomethyl)-2-(2-ethenylphenyl)benzene
SMILESC=Cc1ccccc1-c1ccccc1CBr
InChIInChI=1S/C15H13Br/c1-2-12-7-3-5-9-14(12)15-10-6-4-8-13(15)11-16/h2-10H,1,11H2
InChIKeyNWWHEHUADNRZSK-UHFFFAOYSA-N
MW273.17 g/mol
LogP4.89
Rot. Bonds3

About 1-(bromomethyl)-2-(2-ethenylphenyl)benzene

1-(bromomethyl)-2-(2-ethenylphenyl)benzene (PubChem CID 59170382) has the molecular formula C15H13Br and a molecular weight of 273.17 g/mol. Its IUPAC name is 1-(bromomethyl)-2-(2-ethenylphenyl)benzene.

Molecular Properties

Compound Name1-(bromomethyl)-2-(2-ethenylphenyl)benzene
PubChem CID59170382
Molecular FormulaC15H13Br
Molecular Weight273.17 g/mol
Exact Mass272.02
IUPAC Name1-(bromomethyl)-2-(2-ethenylphenyl)benzene
SMILESC=Cc1ccccc1-c1ccccc1CBr
InChIInChI=1S/C15H13Br/c1-2-12-7-3-5-9-14(12)15-10-6-4-8-13(15)11-16/h2-10H,1,11H2
InChIKeyNWWHEHUADNRZSK-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 54.89
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-(bromomethyl)-2-(2-ethenylphenyl)benzene?
The IUPAC name of 1-(bromomethyl)-2-(2-ethenylphenyl)benzene (CID 59170382) is 1-(bromomethyl)-2-(2-ethenylphenyl)benzene.
What is the SMILES notation for 1-(bromomethyl)-2-(2-ethenylphenyl)benzene?
The canonical SMILES for 1-(bromomethyl)-2-(2-ethenylphenyl)benzene is C=Cc1ccccc1-c1ccccc1CBr.
What is the InChIKey of 1-(bromomethyl)-2-(2-ethenylphenyl)benzene?
The InChIKey is NWWHEHUADNRZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br/c1-2-12-7-3-5-9-14(12)15-10-6-4-8-13(15)11-16/h2-10H,1,11H2.
What are the key properties of 1-(bromomethyl)-2-(2-ethenylphenyl)benzene?
1-(bromomethyl)-2-(2-ethenylphenyl)benzene has a molecular weight of 273.17 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2-(2-ethenylphenyl)benzene is sourced from PubChem (CID 59170382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).