1-phenyl-2-(1-phenylethoxy)ethanone

C16H16O2 — CID 53254367

IUPAC1-phenyl-2-(1-phenylethoxy)ethanone
SMILESCC(OCC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16O2/c1-13(14-8-4-2-5-9-14)18-12-16(17)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3
InChIKeyRBHSWXSSAGAVAG-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.65
Rot. Bonds5

About 1-phenyl-2-(1-phenylethoxy)ethanone

1-phenyl-2-(1-phenylethoxy)ethanone (PubChem CID 53254367) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-phenyl-2-(1-phenylethoxy)ethanone.

Molecular Properties

Compound Name1-phenyl-2-(1-phenylethoxy)ethanone
PubChem CID53254367
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name1-phenyl-2-(1-phenylethoxy)ethanone
SMILESCC(OCC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16O2/c1-13(14-8-4-2-5-9-14)18-12-16(17)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3
InChIKeyRBHSWXSSAGAVAG-UHFFFAOYSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(1-phenylethoxy)ethanone?
The IUPAC name of 1-phenyl-2-(1-phenylethoxy)ethanone (CID 53254367) is 1-phenyl-2-(1-phenylethoxy)ethanone.
What is the SMILES notation for 1-phenyl-2-(1-phenylethoxy)ethanone?
The canonical SMILES for 1-phenyl-2-(1-phenylethoxy)ethanone is CC(OCC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(1-phenylethoxy)ethanone?
The InChIKey is RBHSWXSSAGAVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-13(14-8-4-2-5-9-14)18-12-16(17)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3.
What are the key properties of 1-phenyl-2-(1-phenylethoxy)ethanone?
1-phenyl-2-(1-phenylethoxy)ethanone has a molecular weight of 240.30 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(1-phenylethoxy)ethanone is sourced from PubChem (CID 53254367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).