2-hydroxy-4-phenoxy-1,3,2λ5-dioxaphosphocane 2-oxide

C11H15O5P — CID 142743096

IUPAC2-hydroxy-4-phenoxy-1,3,2λ5-dioxaphosphocane 2-oxide
SMILESO=P1(O)OCCCCC(Oc2ccccc2)O1
InChIInChI=1S/C11H15O5P/c12-17(13)14-9-5-4-8-11(16-17)15-10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2,(H,12,13)
InChIKeyOXCXNPFKRAKYJS-UHFFFAOYSA-N
MW258.21 g/mol
LogP2.71
Rot. Bonds2

About 2-hydroxy-4-phenoxy-1,3,2λ5-dioxaphosphocane 2-oxide

2-hydroxy-4-phenoxy-1,3,2λ5-dioxaphosphocane 2-oxide (PubChem CID 142743096) has the molecular formula C11H15O5P and a molecular weight of 258.21 g/mol. Its IUPAC name is 2-hydroxy-4-phenoxy-1,3,2λ5-dioxaphosphocane 2-oxide.

Molecular Properties

Compound Name2-hydroxy-4-phenoxy-1,3,2λ5-dioxaphosphocane 2-oxide
PubChem CID142743096
Molecular FormulaC11H15O5P
Molecular Weight258.21 g/mol
Exact Mass258.07
IUPAC Name2-hydroxy-4-phenoxy-1,3,2λ5-dioxaphosphocane 2-oxide
SMILESO=P1(O)OCCCCC(Oc2ccccc2)O1
InChIInChI=1S/C11H15O5P/c12-17(13)14-9-5-4-8-11(16-17)15-10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2,(H,12,13)
InChIKeyOXCXNPFKRAKYJS-UHFFFAOYSA-N
XLogP2.71
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.21
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-phenoxy-1,3,2λ5-dioxaphosphocane 2-oxide?
The IUPAC name of 2-hydroxy-4-phenoxy-1,3,2λ5-dioxaphosphocane 2-oxide (CID 142743096) is 2-hydroxy-4-phenoxy-1,3,2λ5-dioxaphosphocane 2-oxide.
What is the SMILES notation for 2-hydroxy-4-phenoxy-1,3,2λ5-dioxaphosphocane 2-oxide?
The canonical SMILES for 2-hydroxy-4-phenoxy-1,3,2λ5-dioxaphosphocane 2-oxide is O=P1(O)OCCCCC(Oc2ccccc2)O1.
What is the InChIKey of 2-hydroxy-4-phenoxy-1,3,2λ5-dioxaphosphocane 2-oxide?
The InChIKey is OXCXNPFKRAKYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15O5P/c12-17(13)14-9-5-4-8-11(16-17)15-10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2,(H,12,13).
What are the key properties of 2-hydroxy-4-phenoxy-1,3,2λ5-dioxaphosphocane 2-oxide?
2-hydroxy-4-phenoxy-1,3,2λ5-dioxaphosphocane 2-oxide has a molecular weight of 258.21 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-phenoxy-1,3,2λ5-dioxaphosphocane 2-oxide is sourced from PubChem (CID 142743096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).