bis[(1E)-buta-1,3-dienyl]-(2-methylphenyl)phosphane

C15H17P — CID 159392273

IUPACbis[(1E)-buta-1,3-dienyl]-(2-methylphenyl)phosphane
SMILESC=C/C=C/P(/C=C/C=C)c1ccccc1C
InChIInChI=1S/C15H17P/c1-4-6-12-16(13-7-5-2)15-11-9-8-10-14(15)3/h4-13H,1-2H2,3H3/b12-6+,13-7+
InChIKeyDBGMUMBJAORKQL-PWHKKFIBSA-N
MW228.27 g/mol
LogP4.50
Rot. Bonds5

About bis[(1E)-buta-1,3-dienyl]-(2-methylphenyl)phosphane

bis[(1E)-buta-1,3-dienyl]-(2-methylphenyl)phosphane (PubChem CID 159392273) has the molecular formula C15H17P and a molecular weight of 228.27 g/mol. Its IUPAC name is bis[(1E)-buta-1,3-dienyl]-(2-methylphenyl)phosphane.

Molecular Properties

Compound Namebis[(1E)-buta-1,3-dienyl]-(2-methylphenyl)phosphane
PubChem CID159392273
Molecular FormulaC15H17P
Molecular Weight228.27 g/mol
Exact Mass228.11
IUPAC Namebis[(1E)-buta-1,3-dienyl]-(2-methylphenyl)phosphane
SMILESC=C/C=C/P(/C=C/C=C)c1ccccc1C
InChIInChI=1S/C15H17P/c1-4-6-12-16(13-7-5-2)15-11-9-8-10-14(15)3/h4-13H,1-2H2,3H3/b12-6+,13-7+
InChIKeyDBGMUMBJAORKQL-PWHKKFIBSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis[(1E)-buta-1,3-dienyl]-(2-methylphenyl)phosphane?
The IUPAC name of bis[(1E)-buta-1,3-dienyl]-(2-methylphenyl)phosphane (CID 159392273) is bis[(1E)-buta-1,3-dienyl]-(2-methylphenyl)phosphane.
What is the SMILES notation for bis[(1E)-buta-1,3-dienyl]-(2-methylphenyl)phosphane?
The canonical SMILES for bis[(1E)-buta-1,3-dienyl]-(2-methylphenyl)phosphane is C=C/C=C/P(/C=C/C=C)c1ccccc1C.
What is the InChIKey of bis[(1E)-buta-1,3-dienyl]-(2-methylphenyl)phosphane?
The InChIKey is DBGMUMBJAORKQL-PWHKKFIBSA-N. The full InChI is InChI=1S/C15H17P/c1-4-6-12-16(13-7-5-2)15-11-9-8-10-14(15)3/h4-13H,1-2H2,3H3/b12-6+,13-7+.
What are the key properties of bis[(1E)-buta-1,3-dienyl]-(2-methylphenyl)phosphane?
bis[(1E)-buta-1,3-dienyl]-(2-methylphenyl)phosphane has a molecular weight of 228.27 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(1E)-buta-1,3-dienyl]-(2-methylphenyl)phosphane is sourced from PubChem (CID 159392273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).