2-hydroxy-4,5-diphenyl-1,3,2λ5-oxathiaphospholane 2-oxide

C14H13O3PS — CID 58900579

IUPAC2-hydroxy-4,5-diphenyl-1,3,2λ5-oxathiaphospholane 2-oxide
SMILESO=P1(O)OC(c2ccccc2)C(c2ccccc2)S1
InChIInChI=1S/C14H13O3PS/c15-18(16)17-13(11-7-3-1-4-8-11)14(19-18)12-9-5-2-6-10-12/h1-10,13-14H,(H,15,16)
InChIKeyZDNNRNXKDQSDIV-UHFFFAOYSA-N
MW292.30 g/mol
LogP4.33
Rot. Bonds2

About 2-hydroxy-4,5-diphenyl-1,3,2λ5-oxathiaphospholane 2-oxide

2-hydroxy-4,5-diphenyl-1,3,2λ5-oxathiaphospholane 2-oxide (PubChem CID 58900579) has the molecular formula C14H13O3PS and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-hydroxy-4,5-diphenyl-1,3,2λ5-oxathiaphospholane 2-oxide.

Molecular Properties

Compound Name2-hydroxy-4,5-diphenyl-1,3,2λ5-oxathiaphospholane 2-oxide
PubChem CID58900579
Molecular FormulaC14H13O3PS
Molecular Weight292.30 g/mol
Exact Mass292.03
IUPAC Name2-hydroxy-4,5-diphenyl-1,3,2λ5-oxathiaphospholane 2-oxide
SMILESO=P1(O)OC(c2ccccc2)C(c2ccccc2)S1
InChIInChI=1S/C14H13O3PS/c15-18(16)17-13(11-7-3-1-4-8-11)14(19-18)12-9-5-2-6-10-12/h1-10,13-14H,(H,15,16)
InChIKeyZDNNRNXKDQSDIV-UHFFFAOYSA-N
XLogP4.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4,5-diphenyl-1,3,2λ5-oxathiaphospholane 2-oxide?
The IUPAC name of 2-hydroxy-4,5-diphenyl-1,3,2λ5-oxathiaphospholane 2-oxide (CID 58900579) is 2-hydroxy-4,5-diphenyl-1,3,2λ5-oxathiaphospholane 2-oxide.
What is the SMILES notation for 2-hydroxy-4,5-diphenyl-1,3,2λ5-oxathiaphospholane 2-oxide?
The canonical SMILES for 2-hydroxy-4,5-diphenyl-1,3,2λ5-oxathiaphospholane 2-oxide is O=P1(O)OC(c2ccccc2)C(c2ccccc2)S1.
What is the InChIKey of 2-hydroxy-4,5-diphenyl-1,3,2λ5-oxathiaphospholane 2-oxide?
The InChIKey is ZDNNRNXKDQSDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13O3PS/c15-18(16)17-13(11-7-3-1-4-8-11)14(19-18)12-9-5-2-6-10-12/h1-10,13-14H,(H,15,16).
What are the key properties of 2-hydroxy-4,5-diphenyl-1,3,2λ5-oxathiaphospholane 2-oxide?
2-hydroxy-4,5-diphenyl-1,3,2λ5-oxathiaphospholane 2-oxide has a molecular weight of 292.30 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4,5-diphenyl-1,3,2λ5-oxathiaphospholane 2-oxide is sourced from PubChem (CID 58900579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).