2-diphenoxyphosphanyl-1,2-diphenylethanone

C26H21O3P — CID 101037587

IUPAC2-diphenoxyphosphanyl-1,2-diphenylethanone
SMILESO=C(c1ccccc1)C(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C26H21O3P/c27-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)30(28-23-17-9-3-10-18-23)29-24-19-11-4-12-20-24/h1-20,26H
InChIKeyACYMWIQIXOZPLI-UHFFFAOYSA-N
MW412.43 g/mol
LogP7.08
Rot. Bonds8

About 2-diphenoxyphosphanyl-1,2-diphenylethanone

2-diphenoxyphosphanyl-1,2-diphenylethanone (PubChem CID 101037587) has the molecular formula C26H21O3P and a molecular weight of 412.43 g/mol. Its IUPAC name is 2-diphenoxyphosphanyl-1,2-diphenylethanone.

Molecular Properties

Compound Name2-diphenoxyphosphanyl-1,2-diphenylethanone
PubChem CID101037587
Molecular FormulaC26H21O3P
Molecular Weight412.43 g/mol
Exact Mass412.12
IUPAC Name2-diphenoxyphosphanyl-1,2-diphenylethanone
SMILESO=C(c1ccccc1)C(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C26H21O3P/c27-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)30(28-23-17-9-3-10-18-23)29-24-19-11-4-12-20-24/h1-20,26H
InChIKeyACYMWIQIXOZPLI-UHFFFAOYSA-N
XLogP7.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.43
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-benzoyl-3-chloro-3-phenylpropanenitrile
CID 135049757
2-hydroxy-1,2-diphenylethanone
CID 159399559
bis(2-(2-oxo-1,2-diphenylethoxy)-1,2-diphenylethanone);hydrate
CID 19854989
2-hydroxy-1,2-diphenylethanone;silyloxysilane
CID 173133276
2,3-dibenzoyl-1,4-diphenylbutane-1,4-dione
CID 4277936
formaldehyde;bis(2-hydroxy-1,2-diphenylethanone)
CID 174440021
deuterium monohydride;2-hydroxy-1,2-diphenylethanone
CID 158356694
(2S)-2-anilino-1,2-diphenylethanone
CID 36689702
bis(phenyl dihydrogen phosphite);sulfane
CID 174625507
2-(4-methoxyphenoxy)-1,2-diphenylethanone
CID 20722156
4-fluoro-1,2-diphenylbutan-1-one
CID 174928566
(2-oxo-1,2-diphenylethyl) 2,2-diphenylacetate
CID 2935756

Frequently Asked Questions

What is the IUPAC name of 2-diphenoxyphosphanyl-1,2-diphenylethanone?
The IUPAC name of 2-diphenoxyphosphanyl-1,2-diphenylethanone (CID 101037587) is 2-diphenoxyphosphanyl-1,2-diphenylethanone.
What is the SMILES notation for 2-diphenoxyphosphanyl-1,2-diphenylethanone?
The canonical SMILES for 2-diphenoxyphosphanyl-1,2-diphenylethanone is O=C(c1ccccc1)C(c1ccccc1)P(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of 2-diphenoxyphosphanyl-1,2-diphenylethanone?
The InChIKey is ACYMWIQIXOZPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21O3P/c27-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)30(28-23-17-9-3-10-18-23)29-24-19-11-4-12-20-24/h1-20,26H.
What are the key properties of 2-diphenoxyphosphanyl-1,2-diphenylethanone?
2-diphenoxyphosphanyl-1,2-diphenylethanone has a molecular weight of 412.43 g/mol, XLogP of 7.08, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenoxyphosphanyl-1,2-diphenylethanone is sourced from PubChem (CID 101037587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).