(1R)-1-phenyl-5-propan-2-yl-2,3-dihydro-1λ5-phosphole 1-oxide

C13H17OP — CID 90961218

IUPAC(1R)-1-phenyl-5-propan-2-yl-2,3-dihydro-1λ5-phosphole 1-oxide
SMILESCC(C)C1=CCC[P@]1(=O)c1ccccc1
InChIInChI=1S/C13H17OP/c1-11(2)13-9-6-10-15(13,14)12-7-4-3-5-8-12/h3-5,7-9,11H,6,10H2,1-2H3/t15-/m0/s1
InChIKeyWPMRFEPVDDIKKN-HNNXBMFYSA-N
MW220.25 g/mol
LogP3.62
Rot. Bonds2

About (1R)-1-phenyl-5-propan-2-yl-2,3-dihydro-1λ5-phosphole 1-oxide

(1R)-1-phenyl-5-propan-2-yl-2,3-dihydro-1λ5-phosphole 1-oxide (PubChem CID 90961218) has the molecular formula C13H17OP and a molecular weight of 220.25 g/mol. Its IUPAC name is (1R)-1-phenyl-5-propan-2-yl-2,3-dihydro-1λ5-phosphole 1-oxide.

Molecular Properties

Compound Name(1R)-1-phenyl-5-propan-2-yl-2,3-dihydro-1λ5-phosphole 1-oxide
PubChem CID90961218
Molecular FormulaC13H17OP
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name(1R)-1-phenyl-5-propan-2-yl-2,3-dihydro-1λ5-phosphole 1-oxide
SMILESCC(C)C1=CCC[P@]1(=O)c1ccccc1
InChIInChI=1S/C13H17OP/c1-11(2)13-9-6-10-15(13,14)12-7-4-3-5-8-12/h3-5,7-9,11H,6,10H2,1-2H3/t15-/m0/s1
InChIKeyWPMRFEPVDDIKKN-HNNXBMFYSA-N
XLogP3.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-phenyl-5-propan-2-yl-2,3-dihydro-1λ5-phosphole 1-oxide?
The IUPAC name of (1R)-1-phenyl-5-propan-2-yl-2,3-dihydro-1λ5-phosphole 1-oxide (CID 90961218) is (1R)-1-phenyl-5-propan-2-yl-2,3-dihydro-1λ5-phosphole 1-oxide.
What is the SMILES notation for (1R)-1-phenyl-5-propan-2-yl-2,3-dihydro-1λ5-phosphole 1-oxide?
The canonical SMILES for (1R)-1-phenyl-5-propan-2-yl-2,3-dihydro-1λ5-phosphole 1-oxide is CC(C)C1=CCC[P@]1(=O)c1ccccc1.
What is the InChIKey of (1R)-1-phenyl-5-propan-2-yl-2,3-dihydro-1λ5-phosphole 1-oxide?
The InChIKey is WPMRFEPVDDIKKN-HNNXBMFYSA-N. The full InChI is InChI=1S/C13H17OP/c1-11(2)13-9-6-10-15(13,14)12-7-4-3-5-8-12/h3-5,7-9,11H,6,10H2,1-2H3/t15-/m0/s1.
What are the key properties of (1R)-1-phenyl-5-propan-2-yl-2,3-dihydro-1λ5-phosphole 1-oxide?
(1R)-1-phenyl-5-propan-2-yl-2,3-dihydro-1λ5-phosphole 1-oxide has a molecular weight of 220.25 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-phenyl-5-propan-2-yl-2,3-dihydro-1λ5-phosphole 1-oxide is sourced from PubChem (CID 90961218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).