buta-1,3-dienyl(diphenyl)phosphane

C16H15P — CID 72728376

IUPACbuta-1,3-dienyl(diphenyl)phosphane
SMILESC=CC=CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15P/c1-2-3-14-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h2-14H,1H2
InChIKeyAPDRRVRAZDTMAN-UHFFFAOYSA-N
MW238.27 g/mol
LogP3.82
Rot. Bonds4

About buta-1,3-dienyl(diphenyl)phosphane

buta-1,3-dienyl(diphenyl)phosphane (PubChem CID 72728376) has the molecular formula C16H15P and a molecular weight of 238.27 g/mol. Its IUPAC name is buta-1,3-dienyl(diphenyl)phosphane.

Molecular Properties

Compound Namebuta-1,3-dienyl(diphenyl)phosphane
PubChem CID72728376
Molecular FormulaC16H15P
Molecular Weight238.27 g/mol
Exact Mass238.09
IUPAC Namebuta-1,3-dienyl(diphenyl)phosphane
SMILESC=CC=CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15P/c1-2-3-14-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h2-14H,1H2
InChIKeyAPDRRVRAZDTMAN-UHFFFAOYSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 53.82
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'}

Analyze buta-1,3-dienyl(diphenyl)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 buta-1,3-dienyl(diphenyl)phosphane?
The IUPAC name of buta-1,3-dienyl(diphenyl)phosphane (CID 72728376) is buta-1,3-dienyl(diphenyl)phosphane.
What is the SMILES notation for buta-1,3-dienyl(diphenyl)phosphane?
The canonical SMILES for buta-1,3-dienyl(diphenyl)phosphane is C=CC=CP(c1ccccc1)c1ccccc1.
What is the InChIKey of buta-1,3-dienyl(diphenyl)phosphane?
The InChIKey is APDRRVRAZDTMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15P/c1-2-3-14-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h2-14H,1H2.
What are the key properties of buta-1,3-dienyl(diphenyl)phosphane?
buta-1,3-dienyl(diphenyl)phosphane has a molecular weight of 238.27 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-dienyl(diphenyl)phosphane is sourced from PubChem (CID 72728376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).