phenacyl 2-phenylacetate

C16H14O3 — CID 872782

IUPACphenacyl 2-phenylacetate
SMILESO=C(Cc1ccccc1)OCC(=O)c1ccccc1
InChIInChI=1S/C16H14O3/c17-15(14-9-5-2-6-10-14)12-19-16(18)11-13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKeyYUVGYHKICRFUPB-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.66
Rot. Bonds5

About phenacyl 2-phenylacetate

phenacyl 2-phenylacetate (PubChem CID 872782) has the molecular formula C16H14O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is phenacyl 2-phenylacetate.

Molecular Properties

Compound Namephenacyl 2-phenylacetate
PubChem CID872782
Molecular FormulaC16H14O3
Molecular Weight254.29 g/mol
Exact Mass254.09
IUPAC Namephenacyl 2-phenylacetate
SMILESO=C(Cc1ccccc1)OCC(=O)c1ccccc1
InChIInChI=1S/C16H14O3/c17-15(14-9-5-2-6-10-14)12-19-16(18)11-13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKeyYUVGYHKICRFUPB-UHFFFAOYSA-N
XLogP2.66
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenacyl 2-phenylacetate?
The IUPAC name of phenacyl 2-phenylacetate (CID 872782) is phenacyl 2-phenylacetate.
What is the SMILES notation for phenacyl 2-phenylacetate?
The canonical SMILES for phenacyl 2-phenylacetate is O=C(Cc1ccccc1)OCC(=O)c1ccccc1.
What is the InChIKey of phenacyl 2-phenylacetate?
The InChIKey is YUVGYHKICRFUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c17-15(14-9-5-2-6-10-14)12-19-16(18)11-13-7-3-1-4-8-13/h1-10H,11-12H2.
What are the key properties of phenacyl 2-phenylacetate?
phenacyl 2-phenylacetate has a molecular weight of 254.29 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 2-phenylacetate is sourced from PubChem (CID 872782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).