5-diphenoxyphosphoryl-1,3-benzodioxole

C19H15O5P — CID 11428171

IUPAC5-diphenoxyphosphoryl-1,3-benzodioxole
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H15O5P/c20-25(23-15-7-3-1-4-8-15,24-16-9-5-2-6-10-16)17-11-12-18-19(13-17)22-14-21-18/h1-13H,14H2
InChIKeyVIEMBAAFFJSPMY-UHFFFAOYSA-N
MW354.30 g/mol
LogP4.39
Rot. Bonds5

About 5-diphenoxyphosphoryl-1,3-benzodioxole

5-diphenoxyphosphoryl-1,3-benzodioxole (PubChem CID 11428171) has the molecular formula C19H15O5P and a molecular weight of 354.30 g/mol. Its IUPAC name is 5-diphenoxyphosphoryl-1,3-benzodioxole.

Molecular Properties

Compound Name5-diphenoxyphosphoryl-1,3-benzodioxole
PubChem CID11428171
Molecular FormulaC19H15O5P
Molecular Weight354.30 g/mol
Exact Mass354.07
IUPAC Name5-diphenoxyphosphoryl-1,3-benzodioxole
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H15O5P/c20-25(23-15-7-3-1-4-8-15,24-16-9-5-2-6-10-16)17-11-12-18-19(13-17)22-14-21-18/h1-13H,14H2
InChIKeyVIEMBAAFFJSPMY-UHFFFAOYSA-N
XLogP4.39
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.30
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[methyl(phenyl)phosphoryl]-1,3-benzodioxole
CID 132523246
(E)-1-(1,3-benzodioxol-5-yl)-N-diphenylphosphorylmethanimine
CID 10915051
N-[methyl(phenoxy)phosphoryl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 11860448
benzene;1,3-benzodioxole
CID 158998325
(2R)-1-(1,3-benzodioxol-5-yl)-N-[methoxymethyl(phenoxy)phosphoryl]-N-methylpropan-2-amine
CID 168847346
(S)-1,3-benzodioxol-5-yl(diphenylphosphoryl)methanol
CID 1000311
1,1'-biphenyl;2,3-dihydro-1,4-benzodioxin-6-ylphosphonic acid
CID 159667093
1-diphenoxyphosphoryl-4-ethynylbenzene
CID 141456920
(1S)-1-(1,3-benzodioxol-5-yl)-N-diphenylphosphorylpropan-1-amine
CID 10948881
phenyl-[4-[phenyl-(4-phenyldiazenylphenoxy)phosphoryl]oxyphenyl]diazene
CID 155046277
1-(1,3-benzodioxol-5-yl)-N,1-bis(diphenylphosphoryl)methanamine
CID 12018362
1,3-benzodioxol-5-yl (2R)-2-phenoxypropanoate
CID 8766447

Frequently Asked Questions

What is the IUPAC name of 5-diphenoxyphosphoryl-1,3-benzodioxole?
The IUPAC name of 5-diphenoxyphosphoryl-1,3-benzodioxole (CID 11428171) is 5-diphenoxyphosphoryl-1,3-benzodioxole.
What is the SMILES notation for 5-diphenoxyphosphoryl-1,3-benzodioxole?
The canonical SMILES for 5-diphenoxyphosphoryl-1,3-benzodioxole is O=P(Oc1ccccc1)(Oc1ccccc1)c1ccc2c(c1)OCO2.
What is the InChIKey of 5-diphenoxyphosphoryl-1,3-benzodioxole?
The InChIKey is VIEMBAAFFJSPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15O5P/c20-25(23-15-7-3-1-4-8-15,24-16-9-5-2-6-10-16)17-11-12-18-19(13-17)22-14-21-18/h1-13H,14H2.
What are the key properties of 5-diphenoxyphosphoryl-1,3-benzodioxole?
5-diphenoxyphosphoryl-1,3-benzodioxole has a molecular weight of 354.30 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diphenoxyphosphoryl-1,3-benzodioxole is sourced from PubChem (CID 11428171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).