ethyl (2-oxo-1,2-diphenylethyl) carbonate

C17H16O4 — CID 19801564

IUPACethyl (2-oxo-1,2-diphenylethyl) carbonate
SMILESCCOC(=O)OC(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O4/c1-2-20-17(19)21-16(14-11-7-4-8-12-14)15(18)13-9-5-3-6-10-13/h3-12,16H,2H2,1H3
InChIKeyVFXDOHNVYZZSHS-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.78
Rot. Bonds5

About ethyl (2-oxo-1,2-diphenylethyl) carbonate

ethyl (2-oxo-1,2-diphenylethyl) carbonate (PubChem CID 19801564) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is ethyl (2-oxo-1,2-diphenylethyl) carbonate.

Molecular Properties

Compound Nameethyl (2-oxo-1,2-diphenylethyl) carbonate
PubChem CID19801564
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Nameethyl (2-oxo-1,2-diphenylethyl) carbonate
SMILESCCOC(=O)OC(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O4/c1-2-20-17(19)21-16(14-11-7-4-8-12-14)15(18)13-9-5-3-6-10-13/h3-12,16H,2H2,1H3
InChIKeyVFXDOHNVYZZSHS-UHFFFAOYSA-N
XLogP3.78
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (2-oxo-1,2-diphenylethyl) carbonate?
The IUPAC name of ethyl (2-oxo-1,2-diphenylethyl) carbonate (CID 19801564) is ethyl (2-oxo-1,2-diphenylethyl) carbonate.
What is the SMILES notation for ethyl (2-oxo-1,2-diphenylethyl) carbonate?
The canonical SMILES for ethyl (2-oxo-1,2-diphenylethyl) carbonate is CCOC(=O)OC(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl (2-oxo-1,2-diphenylethyl) carbonate?
The InChIKey is VFXDOHNVYZZSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-2-20-17(19)21-16(14-11-7-4-8-12-14)15(18)13-9-5-3-6-10-13/h3-12,16H,2H2,1H3.
What are the key properties of ethyl (2-oxo-1,2-diphenylethyl) carbonate?
ethyl (2-oxo-1,2-diphenylethyl) carbonate has a molecular weight of 284.31 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2-oxo-1,2-diphenylethyl) carbonate is sourced from PubChem (CID 19801564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).