[4-(3-acetyloxyphenoxy)phenyl] acetate

C16H14O5 — CID 23459901

IUPAC[4-(3-acetyloxyphenoxy)phenyl] acetate
SMILESCC(=O)Oc1ccc(Oc2cccc(OC(C)=O)c2)cc1
InChIInChI=1S/C16H14O5/c1-11(17)19-13-6-8-14(9-7-13)21-16-5-3-4-15(10-16)20-12(2)18/h3-10H,1-2H3
InChIKeyMFISQSXRILNQQL-UHFFFAOYSA-N
MW286.28 g/mol
LogP3.33
Rot. Bonds4

About [4-(3-acetyloxyphenoxy)phenyl] acetate

[4-(3-acetyloxyphenoxy)phenyl] acetate (PubChem CID 23459901) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is [4-(3-acetyloxyphenoxy)phenyl] acetate.

Molecular Properties

Compound Name[4-(3-acetyloxyphenoxy)phenyl] acetate
PubChem CID23459901
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name[4-(3-acetyloxyphenoxy)phenyl] acetate
SMILESCC(=O)Oc1ccc(Oc2cccc(OC(C)=O)c2)cc1
InChIInChI=1S/C16H14O5/c1-11(17)19-13-6-8-14(9-7-13)21-16-5-3-4-15(10-16)20-12(2)18/h3-10H,1-2H3
InChIKeyMFISQSXRILNQQL-UHFFFAOYSA-N
XLogP3.33
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

phenoxybenzene;phenyl acetate
CID 159251324
[3-(4-amino-3-fluorophenoxy)phenyl] acetate
CID 146292003
[3-[4-[3-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate
CID 59739192
[4-[3-[4-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate
CID 59739254
(3-phenoxyphenyl) 2-methylpropanoate
CID 175210389
[4-(4-acetylphenoxy)phenyl] acetate
CID 86194882
[3-[(4-phenoxyphenyl)carbamoylamino]phenyl] acetate
CID 108865140
phenyl acetate;hydroiodide
CID 172788123
[4-[3-[4-(4-methylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 90192164
[3-(trifluoromethoxy)phenyl] acetate
CID 20717735
[3-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl] acetate
CID 134120094
sodium;hydride;phenyl acetate
CID 159991718

Frequently Asked Questions

What is the IUPAC name of [4-(3-acetyloxyphenoxy)phenyl] acetate?
The IUPAC name of [4-(3-acetyloxyphenoxy)phenyl] acetate (CID 23459901) is [4-(3-acetyloxyphenoxy)phenyl] acetate.
What is the SMILES notation for [4-(3-acetyloxyphenoxy)phenyl] acetate?
The canonical SMILES for [4-(3-acetyloxyphenoxy)phenyl] acetate is CC(=O)Oc1ccc(Oc2cccc(OC(C)=O)c2)cc1.
What is the InChIKey of [4-(3-acetyloxyphenoxy)phenyl] acetate?
The InChIKey is MFISQSXRILNQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5/c1-11(17)19-13-6-8-14(9-7-13)21-16-5-3-4-15(10-16)20-12(2)18/h3-10H,1-2H3.
What are the key properties of [4-(3-acetyloxyphenoxy)phenyl] acetate?
[4-(3-acetyloxyphenoxy)phenyl] acetate has a molecular weight of 286.28 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-acetyloxyphenoxy)phenyl] acetate is sourced from PubChem (CID 23459901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).