4-phenyl-1,4lambda5-oxaphosphinane 4-oxide

C10H13O2P — CID 4134640

IUPAC4-phenyl-1,4lambda5-oxaphosphinane 4-oxide
SMILESO=P1(c2ccccc2)CCOCC1
InChIInChI=1S/C10H13O2P/c11-13(8-6-12-7-9-13)10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKeySVSWBELTSKUCCP-UHFFFAOYSA-N
MW196.19 g/mol
LogP1.71
Rot. Bonds1

About 4-phenyl-1,4lambda5-oxaphosphinane 4-oxide

4-phenyl-1,4lambda5-oxaphosphinane 4-oxide (PubChem CID 4134640) has the molecular formula C10H13O2P and a molecular weight of 196.19 g/mol. Its IUPAC name is 4-phenyl-1,4lambda5-oxaphosphinane 4-oxide.

Molecular Properties

Compound Name4-phenyl-1,4lambda5-oxaphosphinane 4-oxide
PubChem CID4134640
Molecular FormulaC10H13O2P
Molecular Weight196.19 g/mol
Exact Mass196.07
IUPAC Name4-phenyl-1,4lambda5-oxaphosphinane 4-oxide
SMILESO=P1(c2ccccc2)CCOCC1
InChIInChI=1S/C10H13O2P/c11-13(8-6-12-7-9-13)10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKeySVSWBELTSKUCCP-UHFFFAOYSA-N
XLogP1.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.19
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1,4lambda5-oxaphosphinane 4-oxide?
The IUPAC name of 4-phenyl-1,4lambda5-oxaphosphinane 4-oxide (CID 4134640) is 4-phenyl-1,4lambda5-oxaphosphinane 4-oxide.
What is the SMILES notation for 4-phenyl-1,4lambda5-oxaphosphinane 4-oxide?
The canonical SMILES for 4-phenyl-1,4lambda5-oxaphosphinane 4-oxide is O=P1(c2ccccc2)CCOCC1.
What is the InChIKey of 4-phenyl-1,4lambda5-oxaphosphinane 4-oxide?
The InChIKey is SVSWBELTSKUCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13O2P/c11-13(8-6-12-7-9-13)10-4-2-1-3-5-10/h1-5H,6-9H2.
What are the key properties of 4-phenyl-1,4lambda5-oxaphosphinane 4-oxide?
4-phenyl-1,4lambda5-oxaphosphinane 4-oxide has a molecular weight of 196.19 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1,4lambda5-oxaphosphinane 4-oxide is sourced from PubChem (CID 4134640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).