1-(5-phenylcyclopenta-1,3-dien-1-yl)phosphinane

C16H19P — CID 175338367

IUPAC1-(5-phenylcyclopenta-1,3-dien-1-yl)phosphinane
SMILESC1=CC(c2ccccc2)C(P2CCCCC2)=C1
InChIInChI=1S/C16H19P/c1-3-8-14(9-4-1)15-10-7-11-16(15)17-12-5-2-6-13-17/h1,3-4,7-11,15H,2,5-6,12-13H2
InChIKeyNJXMFFKHXHCDQF-UHFFFAOYSA-N
MW242.30 g/mol
LogP4.89
Rot. Bonds2

About 1-(5-phenylcyclopenta-1,3-dien-1-yl)phosphinane

1-(5-phenylcyclopenta-1,3-dien-1-yl)phosphinane (PubChem CID 175338367) has the molecular formula C16H19P and a molecular weight of 242.30 g/mol. Its IUPAC name is 1-(5-phenylcyclopenta-1,3-dien-1-yl)phosphinane.

Molecular Properties

Compound Name1-(5-phenylcyclopenta-1,3-dien-1-yl)phosphinane
PubChem CID175338367
Molecular FormulaC16H19P
Molecular Weight242.30 g/mol
Exact Mass242.12
IUPAC Name1-(5-phenylcyclopenta-1,3-dien-1-yl)phosphinane
SMILESC1=CC(c2ccccc2)C(P2CCCCC2)=C1
InChIInChI=1S/C16H19P/c1-3-8-14(9-4-1)15-10-7-11-16(15)17-12-5-2-6-13-17/h1,3-4,7-11,15H,2,5-6,12-13H2
InChIKeyNJXMFFKHXHCDQF-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(5-phenylcyclopenta-1,3-dien-1-yl)phosphinane 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 1-(5-phenylcyclopenta-1,3-dien-1-yl)phosphinane?
The IUPAC name of 1-(5-phenylcyclopenta-1,3-dien-1-yl)phosphinane (CID 175338367) is 1-(5-phenylcyclopenta-1,3-dien-1-yl)phosphinane.
What is the SMILES notation for 1-(5-phenylcyclopenta-1,3-dien-1-yl)phosphinane?
The canonical SMILES for 1-(5-phenylcyclopenta-1,3-dien-1-yl)phosphinane is C1=CC(c2ccccc2)C(P2CCCCC2)=C1.
What is the InChIKey of 1-(5-phenylcyclopenta-1,3-dien-1-yl)phosphinane?
The InChIKey is NJXMFFKHXHCDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19P/c1-3-8-14(9-4-1)15-10-7-11-16(15)17-12-5-2-6-13-17/h1,3-4,7-11,15H,2,5-6,12-13H2.
What are the key properties of 1-(5-phenylcyclopenta-1,3-dien-1-yl)phosphinane?
1-(5-phenylcyclopenta-1,3-dien-1-yl)phosphinane has a molecular weight of 242.30 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenylcyclopenta-1,3-dien-1-yl)phosphinane is sourced from PubChem (CID 175338367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).