4-(4-fluorophenoxy)-2-hydroxy-1,3,2λ5-dioxaphosphonane 2-oxide

C12H16FO5P — CID 142743117

IUPAC4-(4-fluorophenoxy)-2-hydroxy-1,3,2λ5-dioxaphosphonane 2-oxide
SMILESO=P1(O)OCCCCCC(Oc2ccc(F)cc2)O1
InChIInChI=1S/C12H16FO5P/c13-10-5-7-11(8-6-10)17-12-4-2-1-3-9-16-19(14,15)18-12/h5-8,12H,1-4,9H2,(H,14,15)
InChIKeyHRGPDQRWTITMJT-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.24
Rot. Bonds2

About 4-(4-fluorophenoxy)-2-hydroxy-1,3,2λ5-dioxaphosphonane 2-oxide

4-(4-fluorophenoxy)-2-hydroxy-1,3,2λ5-dioxaphosphonane 2-oxide (PubChem CID 142743117) has the molecular formula C12H16FO5P and a molecular weight of 290.23 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-2-hydroxy-1,3,2λ5-dioxaphosphonane 2-oxide.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-2-hydroxy-1,3,2λ5-dioxaphosphonane 2-oxide
PubChem CID142743117
Molecular FormulaC12H16FO5P
Molecular Weight290.23 g/mol
Exact Mass290.07
IUPAC Name4-(4-fluorophenoxy)-2-hydroxy-1,3,2λ5-dioxaphosphonane 2-oxide
SMILESO=P1(O)OCCCCCC(Oc2ccc(F)cc2)O1
InChIInChI=1S/C12H16FO5P/c13-10-5-7-11(8-6-10)17-12-4-2-1-3-9-16-19(14,15)18-12/h5-8,12H,1-4,9H2,(H,14,15)
InChIKeyHRGPDQRWTITMJT-UHFFFAOYSA-N
XLogP3.24
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.24
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 4-(4-fluorophenoxy)-2-hydroxy-1,3,2λ5-dioxaphosphonane 2-oxide?
The IUPAC name of 4-(4-fluorophenoxy)-2-hydroxy-1,3,2λ5-dioxaphosphonane 2-oxide (CID 142743117) is 4-(4-fluorophenoxy)-2-hydroxy-1,3,2λ5-dioxaphosphonane 2-oxide.
What is the SMILES notation for 4-(4-fluorophenoxy)-2-hydroxy-1,3,2λ5-dioxaphosphonane 2-oxide?
The canonical SMILES for 4-(4-fluorophenoxy)-2-hydroxy-1,3,2λ5-dioxaphosphonane 2-oxide is O=P1(O)OCCCCCC(Oc2ccc(F)cc2)O1.
What is the InChIKey of 4-(4-fluorophenoxy)-2-hydroxy-1,3,2λ5-dioxaphosphonane 2-oxide?
The InChIKey is HRGPDQRWTITMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FO5P/c13-10-5-7-11(8-6-10)17-12-4-2-1-3-9-16-19(14,15)18-12/h5-8,12H,1-4,9H2,(H,14,15).
What are the key properties of 4-(4-fluorophenoxy)-2-hydroxy-1,3,2λ5-dioxaphosphonane 2-oxide?
4-(4-fluorophenoxy)-2-hydroxy-1,3,2λ5-dioxaphosphonane 2-oxide has a molecular weight of 290.23 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-2-hydroxy-1,3,2λ5-dioxaphosphonane 2-oxide is sourced from PubChem (CID 142743117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).