(2,2-diphenylacetyl)oxymethyl 2,2-diphenylacetate

C29H24O4 — CID 15332487

IUPAC(2,2-diphenylacetyl)oxymethyl 2,2-diphenylacetate
SMILESO=C(OCOC(=O)C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H24O4/c30-28(26(22-13-5-1-6-14-22)23-15-7-2-8-16-23)32-21-33-29(31)27(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,26-27H,21H2
InChIKeyJCUMORFECYQRLR-UHFFFAOYSA-N
MW436.51 g/mol
LogP5.69
Rot. Bonds8

About (2,2-diphenylacetyl)oxymethyl 2,2-diphenylacetate

(2,2-diphenylacetyl)oxymethyl 2,2-diphenylacetate (PubChem CID 15332487) has the molecular formula C29H24O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is (2,2-diphenylacetyl)oxymethyl 2,2-diphenylacetate.

Molecular Properties

Compound Name(2,2-diphenylacetyl)oxymethyl 2,2-diphenylacetate
PubChem CID15332487
Molecular FormulaC29H24O4
Molecular Weight436.51 g/mol
Exact Mass436.17
IUPAC Name(2,2-diphenylacetyl)oxymethyl 2,2-diphenylacetate
SMILESO=C(OCOC(=O)C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H24O4/c30-28(26(22-13-5-1-6-14-22)23-15-7-2-8-16-23)32-21-33-29(31)27(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,26-27H,21H2
InChIKeyJCUMORFECYQRLR-UHFFFAOYSA-N
XLogP5.69
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

phenacyl 2,2-diphenylacetate
CID 597416
2-methylprop-2-enyl 2,2-diphenylacetate
CID 135086240
tris[(2,2-diphenylacetyl)oxy]stannyl 2,2-diphenylacetate
CID 141350105
2-(2,2-diphenylacetyl)oxyethyl-dimethylazanium
CID 3553500
2-(diethylamino)ethyl 2,2-diphenylacetate;hydron;chloride
CID 657315
(2,5-dihydroxypyrrol-1-yl) 2,2-diphenylacetate
CID 123604144
1-(diethylamino)ethyl 2,2-diphenylacetate
CID 23615531
2,2,3,3,4,4,4-heptafluorobutyl 2,2-diphenylacetate
CID 4086856
[2-oxo-2-(propan-2-ylamino)ethyl] 2,2-diphenylacetate
CID 2520764
CID 66773398
CID 66773398
[(1R)-1-phenylethyl] 2,2-diphenylacetate
CID 11001611
2-(2,2-diphenylacetyl)oxyethyl-triethylazanium bromide
CID 3028235

Frequently Asked Questions

What is the IUPAC name of (2,2-diphenylacetyl)oxymethyl 2,2-diphenylacetate?
The IUPAC name of (2,2-diphenylacetyl)oxymethyl 2,2-diphenylacetate (CID 15332487) is (2,2-diphenylacetyl)oxymethyl 2,2-diphenylacetate.
What is the SMILES notation for (2,2-diphenylacetyl)oxymethyl 2,2-diphenylacetate?
The canonical SMILES for (2,2-diphenylacetyl)oxymethyl 2,2-diphenylacetate is O=C(OCOC(=O)C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2,2-diphenylacetyl)oxymethyl 2,2-diphenylacetate?
The InChIKey is JCUMORFECYQRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24O4/c30-28(26(22-13-5-1-6-14-22)23-15-7-2-8-16-23)32-21-33-29(31)27(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,26-27H,21H2.
What are the key properties of (2,2-diphenylacetyl)oxymethyl 2,2-diphenylacetate?
(2,2-diphenylacetyl)oxymethyl 2,2-diphenylacetate has a molecular weight of 436.51 g/mol, XLogP of 5.69, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-diphenylacetyl)oxymethyl 2,2-diphenylacetate is sourced from PubChem (CID 15332487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).