[[(E)-5-chloropent-1-enyl]-phenylphosphoryl]benzene

C17H18ClOP — CID 11023127

IUPAC[[(E)-5-chloropent-1-enyl]-phenylphosphoryl]benzene
SMILESO=P(/C=C/CCCCl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18ClOP/c18-14-8-3-9-15-20(19,16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-2,4-7,9-13,15H,3,8,14H2/b15-9+
InChIKeyRPDJNVKKTYNGRJ-OQLLNIDSSA-N
MW304.76 g/mol
LogP4.53
Rot. Bonds6

About [[(E)-5-chloropent-1-enyl]-phenylphosphoryl]benzene

[[(E)-5-chloropent-1-enyl]-phenylphosphoryl]benzene (PubChem CID 11023127) has the molecular formula C17H18ClOP and a molecular weight of 304.76 g/mol. Its IUPAC name is [[(E)-5-chloropent-1-enyl]-phenylphosphoryl]benzene.

Molecular Properties

Compound Name[[(E)-5-chloropent-1-enyl]-phenylphosphoryl]benzene
PubChem CID11023127
Molecular FormulaC17H18ClOP
Molecular Weight304.76 g/mol
Exact Mass304.08
IUPAC Name[[(E)-5-chloropent-1-enyl]-phenylphosphoryl]benzene
SMILESO=P(/C=C/CCCCl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18ClOP/c18-14-8-3-9-15-20(19,16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-2,4-7,9-13,15H,3,8,14H2/b15-9+
InChIKeyRPDJNVKKTYNGRJ-OQLLNIDSSA-N
XLogP4.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.76
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [[(E)-5-chloropent-1-enyl]-phenylphosphoryl]benzene 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)-5-chloropent-1-enyl]-phenylphosphoryl]benzene?
The IUPAC name of [[(E)-5-chloropent-1-enyl]-phenylphosphoryl]benzene (CID 11023127) is [[(E)-5-chloropent-1-enyl]-phenylphosphoryl]benzene.
What is the SMILES notation for [[(E)-5-chloropent-1-enyl]-phenylphosphoryl]benzene?
The canonical SMILES for [[(E)-5-chloropent-1-enyl]-phenylphosphoryl]benzene is O=P(/C=C/CCCCl)(c1ccccc1)c1ccccc1.
What is the InChIKey of [[(E)-5-chloropent-1-enyl]-phenylphosphoryl]benzene?
The InChIKey is RPDJNVKKTYNGRJ-OQLLNIDSSA-N. The full InChI is InChI=1S/C17H18ClOP/c18-14-8-3-9-15-20(19,16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-2,4-7,9-13,15H,3,8,14H2/b15-9+.
What are the key properties of [[(E)-5-chloropent-1-enyl]-phenylphosphoryl]benzene?
[[(E)-5-chloropent-1-enyl]-phenylphosphoryl]benzene has a molecular weight of 304.76 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [[(E)-5-chloropent-1-enyl]-phenylphosphoryl]benzene is sourced from PubChem (CID 11023127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).