5-methoxy-2,3-diphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]non-2-ene

C17H17O5P — CID 23413181

IUPAC5-methoxy-2,3-diphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]non-2-ene
SMILESCOP12(OCCO1)OC(c1ccccc1)=C(c1ccccc1)O2
InChIInChI=1S/C17H17O5P/c1-18-23(19-12-13-20-23)21-16(14-8-4-2-5-9-14)17(22-23)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3
InChIKeyYTZNQJADHOSZGS-UHFFFAOYSA-N
MW332.29 g/mol
LogP4.38
Rot. Bonds3

About 5-methoxy-2,3-diphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]non-2-ene

5-methoxy-2,3-diphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]non-2-ene (PubChem CID 23413181) has the molecular formula C17H17O5P and a molecular weight of 332.29 g/mol. Its IUPAC name is 5-methoxy-2,3-diphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]non-2-ene.

Molecular Properties

Compound Name5-methoxy-2,3-diphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]non-2-ene
PubChem CID23413181
Molecular FormulaC17H17O5P
Molecular Weight332.29 g/mol
Exact Mass332.08
IUPAC Name5-methoxy-2,3-diphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]non-2-ene
SMILESCOP12(OCCO1)OC(c1ccccc1)=C(c1ccccc1)O2
InChIInChI=1S/C17H17O5P/c1-18-23(19-12-13-20-23)21-16(14-8-4-2-5-9-14)17(22-23)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3
InChIKeyYTZNQJADHOSZGS-UHFFFAOYSA-N
XLogP4.38
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,3-diphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]non-2-ene?
The IUPAC name of 5-methoxy-2,3-diphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]non-2-ene (CID 23413181) is 5-methoxy-2,3-diphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]non-2-ene.
What is the SMILES notation for 5-methoxy-2,3-diphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]non-2-ene?
The canonical SMILES for 5-methoxy-2,3-diphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]non-2-ene is COP12(OCCO1)OC(c1ccccc1)=C(c1ccccc1)O2.
What is the InChIKey of 5-methoxy-2,3-diphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]non-2-ene?
The InChIKey is YTZNQJADHOSZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17O5P/c1-18-23(19-12-13-20-23)21-16(14-8-4-2-5-9-14)17(22-23)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3.
What are the key properties of 5-methoxy-2,3-diphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]non-2-ene?
5-methoxy-2,3-diphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]non-2-ene has a molecular weight of 332.29 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,3-diphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]non-2-ene is sourced from PubChem (CID 23413181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).