[(E)-1-(4-methylphenyl)-3-phosphanylprop-1-en-2-yl]phosphane

C10H14P2 — CID 173489734

IUPAC[(E)-1-(4-methylphenyl)-3-phosphanylprop-1-en-2-yl]phosphane
SMILESCc1ccc(/C=C(/P)CP)cc1
InChIInChI=1S/C10H14P2/c1-8-2-4-9(5-3-8)6-10(12)7-11/h2-6H,7,11-12H2,1H3/b10-6+
InChIKeyYHGIJEMGVRKHHG-UXBLZVDNSA-N
MW196.17 g/mol
LogP3.09
Rot. Bonds2

About [(E)-1-(4-methylphenyl)-3-phosphanylprop-1-en-2-yl]phosphane

[(E)-1-(4-methylphenyl)-3-phosphanylprop-1-en-2-yl]phosphane (PubChem CID 173489734) has the molecular formula C10H14P2 and a molecular weight of 196.17 g/mol. Its IUPAC name is [(E)-1-(4-methylphenyl)-3-phosphanylprop-1-en-2-yl]phosphane.

Molecular Properties

Compound Name[(E)-1-(4-methylphenyl)-3-phosphanylprop-1-en-2-yl]phosphane
PubChem CID173489734
Molecular FormulaC10H14P2
Molecular Weight196.17 g/mol
Exact Mass196.06
IUPAC Name[(E)-1-(4-methylphenyl)-3-phosphanylprop-1-en-2-yl]phosphane
SMILESCc1ccc(/C=C(/P)CP)cc1
InChIInChI=1S/C10H14P2/c1-8-2-4-9(5-3-8)6-10(12)7-11/h2-6H,7,11-12H2,1H3/b10-6+
InChIKeyYHGIJEMGVRKHHG-UXBLZVDNSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(E)-1-(4-methylphenyl)-3-phosphanylprop-1-en-2-yl]phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(E)-1-(4-methylphenyl)-3-phosphanylprop-1-en-2-yl]phosphane?
The IUPAC name of [(E)-1-(4-methylphenyl)-3-phosphanylprop-1-en-2-yl]phosphane (CID 173489734) is [(E)-1-(4-methylphenyl)-3-phosphanylprop-1-en-2-yl]phosphane.
What is the SMILES notation for [(E)-1-(4-methylphenyl)-3-phosphanylprop-1-en-2-yl]phosphane?
The canonical SMILES for [(E)-1-(4-methylphenyl)-3-phosphanylprop-1-en-2-yl]phosphane is Cc1ccc(/C=C(/P)CP)cc1.
What is the InChIKey of [(E)-1-(4-methylphenyl)-3-phosphanylprop-1-en-2-yl]phosphane?
The InChIKey is YHGIJEMGVRKHHG-UXBLZVDNSA-N. The full InChI is InChI=1S/C10H14P2/c1-8-2-4-9(5-3-8)6-10(12)7-11/h2-6H,7,11-12H2,1H3/b10-6+.
What are the key properties of [(E)-1-(4-methylphenyl)-3-phosphanylprop-1-en-2-yl]phosphane?
[(E)-1-(4-methylphenyl)-3-phosphanylprop-1-en-2-yl]phosphane has a molecular weight of 196.17 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-(4-methylphenyl)-3-phosphanylprop-1-en-2-yl]phosphane is sourced from PubChem (CID 173489734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).