[4-(4-acetylphenoxy)phenyl] acetate

C16H14O4 — CID 86194882

IUPAC[4-(4-acetylphenoxy)phenyl] acetate
SMILESCC(=O)Oc1ccc(Oc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C16H14O4/c1-11(17)13-3-5-15(6-4-13)20-16-9-7-14(8-10-16)19-12(2)18/h3-10H,1-2H3
InChIKeyVFBYZROJUOVXOS-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.61
Rot. Bonds4

About [4-(4-acetylphenoxy)phenyl] acetate

[4-(4-acetylphenoxy)phenyl] acetate (PubChem CID 86194882) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is [4-(4-acetylphenoxy)phenyl] acetate.

Molecular Properties

Compound Name[4-(4-acetylphenoxy)phenyl] acetate
PubChem CID86194882
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name[4-(4-acetylphenoxy)phenyl] acetate
SMILESCC(=O)Oc1ccc(Oc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C16H14O4/c1-11(17)13-3-5-15(6-4-13)20-16-9-7-14(8-10-16)19-12(2)18/h3-10H,1-2H3
InChIKeyVFBYZROJUOVXOS-UHFFFAOYSA-N
XLogP3.61
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

4-(4-acetylphenoxy)benzoic acid
CID 60723234
phenoxybenzene;phenyl acetate
CID 159251324
1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]phenyl]phenoxy]phenyl]ethanone
CID 126710300
(4-carbonochloridoylphenyl) acetate
CID 2756254
[4-(3-acetyloxyphenoxy)phenyl] acetate
CID 23459901
1-[4-(4-propan-2-ylphenoxy)phenyl]ethanone
CID 28524219
(4-acetylphenyl) carbamate;ethane
CID 163253714
[4-[4-(4-acetyloxyphenyl)hexa-2,4-dien-3-yl]phenyl] acetate
CID 6767
[4-[(2Z,4E)-4-(4-acetyloxyphenyl)hexa-2,4-dien-3-yl]phenyl] acetate
CID 24884313
(4-methoxyphenyl)-(4-methylphenyl)methanone;1-[4-[4-(4-methylphenoxy)benzoyl]phenyl]ethanone
CID 145054271
[4-(dimethylcarbamoyl)phenyl] acetate
CID 3357388
1-[4-(4-acetylphenoxy)phenyl]-2-phenylethanone
CID 102402149

Frequently Asked Questions

What is the IUPAC name of [4-(4-acetylphenoxy)phenyl] acetate?
The IUPAC name of [4-(4-acetylphenoxy)phenyl] acetate (CID 86194882) is [4-(4-acetylphenoxy)phenyl] acetate.
What is the SMILES notation for [4-(4-acetylphenoxy)phenyl] acetate?
The canonical SMILES for [4-(4-acetylphenoxy)phenyl] acetate is CC(=O)Oc1ccc(Oc2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of [4-(4-acetylphenoxy)phenyl] acetate?
The InChIKey is VFBYZROJUOVXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-11(17)13-3-5-15(6-4-13)20-16-9-7-14(8-10-16)19-12(2)18/h3-10H,1-2H3.
What are the key properties of [4-(4-acetylphenoxy)phenyl] acetate?
[4-(4-acetylphenoxy)phenyl] acetate has a molecular weight of 270.28 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-acetylphenoxy)phenyl] acetate is sourced from PubChem (CID 86194882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).