3-[2-(1-oxo-1-phenyl-1λ5-phospholan-3-yl)ethyl]-1-phenyl-1λ5-phospholane 1-oxide

C22H28O2P2 — CID 132561705

IUPAC3-[2-(1-oxo-1-phenyl-1λ5-phospholan-3-yl)ethyl]-1-phenyl-1λ5-phospholane 1-oxide
SMILESO=P1(c2ccccc2)CCC(CCC2CCP(=O)(c3ccccc3)C2)C1
InChIInChI=1S/C22H28O2P2/c23-25(21-7-3-1-4-8-21)15-13-19(17-25)11-12-20-14-16-26(24,18-20)22-9-5-2-6-10-22/h1-10,19-20H,11-18H2
InChIKeyWZHZMNQNDHIDQM-UHFFFAOYSA-N
MW386.41 g/mol
LogP5.18
Rot. Bonds5

About 3-[2-(1-oxo-1-phenyl-1λ5-phospholan-3-yl)ethyl]-1-phenyl-1λ5-phospholane 1-oxide

3-[2-(1-oxo-1-phenyl-1λ5-phospholan-3-yl)ethyl]-1-phenyl-1λ5-phospholane 1-oxide (PubChem CID 132561705) has the molecular formula C22H28O2P2 and a molecular weight of 386.41 g/mol. Its IUPAC name is 3-[2-(1-oxo-1-phenyl-1λ5-phospholan-3-yl)ethyl]-1-phenyl-1λ5-phospholane 1-oxide.

Molecular Properties

Compound Name3-[2-(1-oxo-1-phenyl-1λ5-phospholan-3-yl)ethyl]-1-phenyl-1λ5-phospholane 1-oxide
PubChem CID132561705
Molecular FormulaC22H28O2P2
Molecular Weight386.41 g/mol
Exact Mass386.16
IUPAC Name3-[2-(1-oxo-1-phenyl-1λ5-phospholan-3-yl)ethyl]-1-phenyl-1λ5-phospholane 1-oxide
SMILESO=P1(c2ccccc2)CCC(CCC2CCP(=O)(c3ccccc3)C2)C1
InChIInChI=1S/C22H28O2P2/c23-25(21-7-3-1-4-8-21)15-13-19(17-25)11-12-20-14-16-26(24,18-20)22-9-5-2-6-10-22/h1-10,19-20H,11-18H2
InChIKeyWZHZMNQNDHIDQM-UHFFFAOYSA-N
XLogP5.18
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.41
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[2-(1-oxo-1-phenyl-1λ5-phospholan-3-yl)ethyl]-1-phenyl-1λ5-phospholane 1-oxide with MolForge

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

Launch Full Analysis

Related Compounds

2-[(2R)-1-oxo-1-phenyl-1λ5-phospholan-2-yl]ethanol
CID 59127796
3-bromo-4-methyl-1-phenyl-1λ5-phospholane 1-oxide
CID 102170737
(5S,6S)-5,6-dibromo-1-oxo-1-phenyl-1λ5-phosphonane-3,8-dione
CID 23415921
(1R,2R,3S)-2-bromo-3-methoxy-1-phenyl-1λ5-phospholane 1-oxide
CID 134986821
CID 89107891
CID 89107891
3-bromo-1-phenyl-2,3-dihydro-1λ5-phosphole 1-oxide
CID 14392855
3-phenyl-1,2,4,5-tetrahydro-1,5,3λ5-benzodiazaphosphepine 3-oxide
CID 3663884
2-phenyl-6-oxa-2λ5-phosphabicyclo[3.1.0]hexane 2-oxide
CID 102257098
CID 161493875
CID 161493875
2-(3-phenylcyclobutyl)ethanol
CID 132580222
1,3-dibenzyl-5-phenyl-1,3,5lambda5-diazaphosphinane 5-oxide
CID 3058098
cyclohexanamine;2-phenylmethoxyethanol
CID 143913686

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-oxo-1-phenyl-1λ5-phospholan-3-yl)ethyl]-1-phenyl-1λ5-phospholane 1-oxide?
The IUPAC name of 3-[2-(1-oxo-1-phenyl-1λ5-phospholan-3-yl)ethyl]-1-phenyl-1λ5-phospholane 1-oxide (CID 132561705) is 3-[2-(1-oxo-1-phenyl-1λ5-phospholan-3-yl)ethyl]-1-phenyl-1λ5-phospholane 1-oxide.
What is the SMILES notation for 3-[2-(1-oxo-1-phenyl-1λ5-phospholan-3-yl)ethyl]-1-phenyl-1λ5-phospholane 1-oxide?
The canonical SMILES for 3-[2-(1-oxo-1-phenyl-1λ5-phospholan-3-yl)ethyl]-1-phenyl-1λ5-phospholane 1-oxide is O=P1(c2ccccc2)CCC(CCC2CCP(=O)(c3ccccc3)C2)C1.
What is the InChIKey of 3-[2-(1-oxo-1-phenyl-1λ5-phospholan-3-yl)ethyl]-1-phenyl-1λ5-phospholane 1-oxide?
The InChIKey is WZHZMNQNDHIDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O2P2/c23-25(21-7-3-1-4-8-21)15-13-19(17-25)11-12-20-14-16-26(24,18-20)22-9-5-2-6-10-22/h1-10,19-20H,11-18H2.
What are the key properties of 3-[2-(1-oxo-1-phenyl-1λ5-phospholan-3-yl)ethyl]-1-phenyl-1λ5-phospholane 1-oxide?
3-[2-(1-oxo-1-phenyl-1λ5-phospholan-3-yl)ethyl]-1-phenyl-1λ5-phospholane 1-oxide has a molecular weight of 386.41 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-oxo-1-phenyl-1λ5-phospholan-3-yl)ethyl]-1-phenyl-1λ5-phospholane 1-oxide is sourced from PubChem (CID 132561705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).