tritylphosphanyl acetate

C21H19O2P — CID 67894050

IUPACtritylphosphanyl acetate
SMILESCC(=O)OPC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19O2P/c1-17(22)23-24-21(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,24H,1H3
InChIKeyDATAZCQPLHRYFZ-UHFFFAOYSA-N
MW334.36 g/mol
LogP5.14
Rot. Bonds5

About tritylphosphanyl acetate

tritylphosphanyl acetate (PubChem CID 67894050) has the molecular formula C21H19O2P and a molecular weight of 334.36 g/mol. Its IUPAC name is tritylphosphanyl acetate.

Molecular Properties

Compound Nametritylphosphanyl acetate
PubChem CID67894050
Molecular FormulaC21H19O2P
Molecular Weight334.36 g/mol
Exact Mass334.11
IUPAC Nametritylphosphanyl acetate
SMILESCC(=O)OPC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19O2P/c1-17(22)23-24-21(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,24H,1H3
InChIKeyDATAZCQPLHRYFZ-UHFFFAOYSA-N
XLogP5.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.36
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1-acetyloxy-1-phenylethyl) acetate
CID 11586599
(3-acetyloxy-2,3-diphenylbutan-2-yl) acetate
CID 135011938
1,1,1-triphenylbut-3-yn-2-yl acetate
CID 101488168
[acetyloxy(diphenyl)methyl]-oxosulfanium
CID 174491893
3-acetyloxy-3-hydroxy-2-oxo-3-phenylpropanoic acid
CID 91042955
ethane;2-hydroxy-2,2-diphenylacetic acid
CID 143307418
tert-butyl acetate;trifluoromethylbenzene
CID 135377327
(1-hydroxy-2-methyl-2-phenylpropyl) acetate
CID 22355072
(2R,3R)-2,3-dihydroxy-2,3-diphenylbutanedioic acid
CID 101336799
(2S,3S)-2,3-dihydroxy-2,3-diphenylbutanedioic acid
CID 101336800
acetyl(1,1-diphenylethyl)azanide;yttrium
CID 58647027
3-amino-3-phenylpentane-2,4-dione
CID 70119036

Frequently Asked Questions

What is the IUPAC name of tritylphosphanyl acetate?
The IUPAC name of tritylphosphanyl acetate (CID 67894050) is tritylphosphanyl acetate.
What is the SMILES notation for tritylphosphanyl acetate?
The canonical SMILES for tritylphosphanyl acetate is CC(=O)OPC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tritylphosphanyl acetate?
The InChIKey is DATAZCQPLHRYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19O2P/c1-17(22)23-24-21(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,24H,1H3.
What are the key properties of tritylphosphanyl acetate?
tritylphosphanyl acetate has a molecular weight of 334.36 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tritylphosphanyl acetate is sourced from PubChem (CID 67894050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).