1-phenylethyl 2-phenylacetate

C16H16O2 — CID 4061172

IUPAC1-phenylethyl 2-phenylacetate
SMILESCC(OC(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H16O2/c1-13(15-10-6-3-7-11-15)18-16(17)12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3
InChIKeyRVPFKYFDINHICG-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.53
Rot. Bonds4

About 1-phenylethyl 2-phenylacetate

1-phenylethyl 2-phenylacetate (PubChem CID 4061172) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-phenylethyl 2-phenylacetate.

Molecular Properties

Compound Name1-phenylethyl 2-phenylacetate
PubChem CID4061172
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name1-phenylethyl 2-phenylacetate
SMILESCC(OC(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H16O2/c1-13(15-10-6-3-7-11-15)18-16(17)12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3
InChIKeyRVPFKYFDINHICG-UHFFFAOYSA-N
XLogP3.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenylethyl 2-phenylacetate?
The IUPAC name of 1-phenylethyl 2-phenylacetate (CID 4061172) is 1-phenylethyl 2-phenylacetate.
What is the SMILES notation for 1-phenylethyl 2-phenylacetate?
The canonical SMILES for 1-phenylethyl 2-phenylacetate is CC(OC(=O)Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenylethyl 2-phenylacetate?
The InChIKey is RVPFKYFDINHICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-13(15-10-6-3-7-11-15)18-16(17)12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3.
What are the key properties of 1-phenylethyl 2-phenylacetate?
1-phenylethyl 2-phenylacetate has a molecular weight of 240.30 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethyl 2-phenylacetate is sourced from PubChem (CID 4061172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).