bromo-[(3-ethenylphenyl)methyl]-triethyl-λ5-phosphane

C15H24BrP — CID 139603999

IUPACbromo-[(3-ethenylphenyl)methyl]-triethyl-λ5-phosphane
SMILESC=Cc1cccc(CP(Br)(CC)(CC)CC)c1
InChIInChI=1S/C15H24BrP/c1-5-14-10-9-11-15(12-14)13-17(16,6-2,7-3)8-4/h5,9-12H,1,6-8,13H2,2-4H3
InChIKeyBMFSZBFXVOJYLQ-UHFFFAOYSA-N
MW315.24 g/mol
LogP5.75
Rot. Bonds6

About bromo-[(3-ethenylphenyl)methyl]-triethyl-λ5-phosphane

bromo-[(3-ethenylphenyl)methyl]-triethyl-λ5-phosphane (PubChem CID 139603999) has the molecular formula C15H24BrP and a molecular weight of 315.24 g/mol. Its IUPAC name is bromo-[(3-ethenylphenyl)methyl]-triethyl-λ5-phosphane.

Molecular Properties

Compound Namebromo-[(3-ethenylphenyl)methyl]-triethyl-λ5-phosphane
PubChem CID139603999
Molecular FormulaC15H24BrP
Molecular Weight315.24 g/mol
Exact Mass314.08
IUPAC Namebromo-[(3-ethenylphenyl)methyl]-triethyl-λ5-phosphane
SMILESC=Cc1cccc(CP(Br)(CC)(CC)CC)c1
InChIInChI=1S/C15H24BrP/c1-5-14-10-9-11-15(12-14)13-17(16,6-2,7-3)8-4/h5,9-12H,1,6-8,13H2,2-4H3
InChIKeyBMFSZBFXVOJYLQ-UHFFFAOYSA-N
XLogP5.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.24
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bromo-[(3-ethenylphenyl)methyl]-triethyl-λ5-phosphane?
The IUPAC name of bromo-[(3-ethenylphenyl)methyl]-triethyl-λ5-phosphane (CID 139603999) is bromo-[(3-ethenylphenyl)methyl]-triethyl-λ5-phosphane.
What is the SMILES notation for bromo-[(3-ethenylphenyl)methyl]-triethyl-λ5-phosphane?
The canonical SMILES for bromo-[(3-ethenylphenyl)methyl]-triethyl-λ5-phosphane is C=Cc1cccc(CP(Br)(CC)(CC)CC)c1.
What is the InChIKey of bromo-[(3-ethenylphenyl)methyl]-triethyl-λ5-phosphane?
The InChIKey is BMFSZBFXVOJYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrP/c1-5-14-10-9-11-15(12-14)13-17(16,6-2,7-3)8-4/h5,9-12H,1,6-8,13H2,2-4H3.
What are the key properties of bromo-[(3-ethenylphenyl)methyl]-triethyl-λ5-phosphane?
bromo-[(3-ethenylphenyl)methyl]-triethyl-λ5-phosphane has a molecular weight of 315.24 g/mol, XLogP of 5.75, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-[(3-ethenylphenyl)methyl]-triethyl-λ5-phosphane is sourced from PubChem (CID 139603999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).