[2-(2-dihydroxyphosphanyloxy-1,1-diphenylethyl)phenyl] dihydrogen phosphite

C20H20O6P2 — CID 174926133

IUPAC[2-(2-dihydroxyphosphanyloxy-1,1-diphenylethyl)phenyl] dihydrogen phosphite
SMILESOP(O)OCC(c1ccccc1)(c1ccccc1)c1ccccc1OP(O)O
InChIInChI=1S/C20H20O6P2/c21-27(22)25-15-20(16-9-3-1-4-10-16,17-11-5-2-6-12-17)18-13-7-8-14-19(18)26-28(23)24/h1-14,21-24H,15H2
InChIKeyCPRVOGACHMQWQU-UHFFFAOYSA-N
MW418.32 g/mol
LogP3.84
Rot. Bonds8

About [2-(2-dihydroxyphosphanyloxy-1,1-diphenylethyl)phenyl] dihydrogen phosphite

[2-(2-dihydroxyphosphanyloxy-1,1-diphenylethyl)phenyl] dihydrogen phosphite (PubChem CID 174926133) has the molecular formula C20H20O6P2 and a molecular weight of 418.32 g/mol. Its IUPAC name is [2-(2-dihydroxyphosphanyloxy-1,1-diphenylethyl)phenyl] dihydrogen phosphite.

Molecular Properties

Compound Name[2-(2-dihydroxyphosphanyloxy-1,1-diphenylethyl)phenyl] dihydrogen phosphite
PubChem CID174926133
Molecular FormulaC20H20O6P2
Molecular Weight418.32 g/mol
Exact Mass418.07
IUPAC Name[2-(2-dihydroxyphosphanyloxy-1,1-diphenylethyl)phenyl] dihydrogen phosphite
SMILESOP(O)OCC(c1ccccc1)(c1ccccc1)c1ccccc1OP(O)O
InChIInChI=1S/C20H20O6P2/c21-27(22)25-15-20(16-9-3-1-4-10-16,17-11-5-2-6-12-17)18-13-7-8-14-19(18)26-28(23)24/h1-14,21-24H,15H2
InChIKeyCPRVOGACHMQWQU-UHFFFAOYSA-N
XLogP3.84
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.32
LogP ≤ 53.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(2-dihydroxyphosphanyloxy-1,1-diphenylethyl)phenyl] dihydrogen phosphite?
The IUPAC name of [2-(2-dihydroxyphosphanyloxy-1,1-diphenylethyl)phenyl] dihydrogen phosphite (CID 174926133) is [2-(2-dihydroxyphosphanyloxy-1,1-diphenylethyl)phenyl] dihydrogen phosphite.
What is the SMILES notation for [2-(2-dihydroxyphosphanyloxy-1,1-diphenylethyl)phenyl] dihydrogen phosphite?
The canonical SMILES for [2-(2-dihydroxyphosphanyloxy-1,1-diphenylethyl)phenyl] dihydrogen phosphite is OP(O)OCC(c1ccccc1)(c1ccccc1)c1ccccc1OP(O)O.
What is the InChIKey of [2-(2-dihydroxyphosphanyloxy-1,1-diphenylethyl)phenyl] dihydrogen phosphite?
The InChIKey is CPRVOGACHMQWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O6P2/c21-27(22)25-15-20(16-9-3-1-4-10-16,17-11-5-2-6-12-17)18-13-7-8-14-19(18)26-28(23)24/h1-14,21-24H,15H2.
What are the key properties of [2-(2-dihydroxyphosphanyloxy-1,1-diphenylethyl)phenyl] dihydrogen phosphite?
[2-(2-dihydroxyphosphanyloxy-1,1-diphenylethyl)phenyl] dihydrogen phosphite has a molecular weight of 418.32 g/mol, XLogP of 3.84, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-dihydroxyphosphanyloxy-1,1-diphenylethyl)phenyl] dihydrogen phosphite is sourced from PubChem (CID 174926133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).