1-[4-(4-acetylphenoxy)phenyl]ethanone

C16H14O3 — CID 17471

IUPAC1-[4-(4-acetylphenoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C16H14O3/c1-11(17)13-3-7-15(8-4-13)19-16-9-5-14(6-10-16)12(2)18/h3-10H,1-2H3
InChIKeyGZRGHDIUPMPHCB-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.88
Rot. Bonds4

About 1-[4-(4-acetylphenoxy)phenyl]ethanone

1-[4-(4-acetylphenoxy)phenyl]ethanone (PubChem CID 17471) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is 1-[4-(4-acetylphenoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(4-acetylphenoxy)phenyl]ethanone
PubChem CID17471
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Name1-[4-(4-acetylphenoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C16H14O3/c1-11(17)13-3-7-15(8-4-13)19-16-9-5-14(6-10-16)12(2)18/h3-10H,1-2H3
InChIKeyGZRGHDIUPMPHCB-UHFFFAOYSA-N
XLogP3.88
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-acetylphenoxy)phenyl]ethanone?
The IUPAC name of 1-[4-(4-acetylphenoxy)phenyl]ethanone (CID 17471) is 1-[4-(4-acetylphenoxy)phenyl]ethanone.
What is the SMILES notation for 1-[4-(4-acetylphenoxy)phenyl]ethanone?
The canonical SMILES for 1-[4-(4-acetylphenoxy)phenyl]ethanone is CC(=O)c1ccc(Oc2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of 1-[4-(4-acetylphenoxy)phenyl]ethanone?
The InChIKey is GZRGHDIUPMPHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-11(17)13-3-7-15(8-4-13)19-16-9-5-14(6-10-16)12(2)18/h3-10H,1-2H3.
What are the key properties of 1-[4-(4-acetylphenoxy)phenyl]ethanone?
1-[4-(4-acetylphenoxy)phenyl]ethanone has a molecular weight of 254.28 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-acetylphenoxy)phenyl]ethanone is sourced from PubChem (CID 17471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).