(3,4,5-triacetyloxyphenyl) acetate

C14H14O8 — CID 15689628

IUPAC(3,4,5-triacetyloxyphenyl) acetate
SMILESCC(=O)Oc1cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c1
InChIInChI=1S/C14H14O8/c1-7(15)19-11-5-12(20-8(2)16)14(22-10(4)18)13(6-11)21-9(3)17/h5-6H,1-4H3
InChIKeyITTQHEDAARBBGF-UHFFFAOYSA-N
MW310.26 g/mol
LogP1.39
Rot. Bonds4

About (3,4,5-triacetyloxyphenyl) acetate

(3,4,5-triacetyloxyphenyl) acetate (PubChem CID 15689628) has the molecular formula C14H14O8 and a molecular weight of 310.26 g/mol. Its IUPAC name is (3,4,5-triacetyloxyphenyl) acetate.

Molecular Properties

Compound Name(3,4,5-triacetyloxyphenyl) acetate
PubChem CID15689628
Molecular FormulaC14H14O8
Molecular Weight310.26 g/mol
Exact Mass310.07
IUPAC Name(3,4,5-triacetyloxyphenyl) acetate
SMILESCC(=O)Oc1cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c1
InChIInChI=1S/C14H14O8/c1-7(15)19-11-5-12(20-8(2)16)14(22-10(4)18)13(6-11)21-9(3)17/h5-6H,1-4H3
InChIKeyITTQHEDAARBBGF-UHFFFAOYSA-N
XLogP1.39
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[3,5-diacetyloxy-4-[3,5-diacetyloxy-4-[3,5-diacetyloxy-4-(3,4,5-triacetyloxyphenoxy)phenoxy]phenoxy]phenyl] acetate
CID 15689630
[3,5-diacetyloxy-4-[2,4,6-triacetyloxy-3-[2,4,6-triacetyloxy-3-(2,4,6-triacetyloxyphenyl)phenyl]phenyl]phenyl] acetate
CID 23428250
[3-[2,6-diacetyloxy-4-(2,4,6-triacetyloxyphenoxy)phenoxy]-5-(2,4,6-triacetyloxyphenoxy)phenyl] acetate
CID 23426767
[3-acetyloxy-5-[2-(3,4,5-triacetyloxyphenyl)ethenyl]phenyl] acetate
CID 77188815
[3-acetyloxy-5-[2,4,6-triacetyloxy-3-(2,4,6-triacetyloxyphenyl)phenoxy]phenyl] acetate
CID 3085355
(2,4,6-trimethoxyphenyl) acetate
CID 68597137
[3-acetyloxy-2-[3,5-diacetyloxy-2-(3,5-diacetyloxyphenoxy)phenoxy]-4-[2,4-diacetyloxy-6-(2,4,6-triacetyloxyphenoxy)phenoxy]phenyl] acetate
CID 162945206
[3,5-diacetyloxy-4-[2,4,6-triacetyloxy-3-[2,4,6-triacetyloxy-3-bromo-5-(2,4,6-triacetyloxyphenyl)phenyl]phenyl]phenyl] acetate
CID 23428251
(2,3-diacetyloxy-5-ethenylphenyl) acetate
CID 54549973
methyl 3,4,5-triacetyloxybenzoate
CID 10924932
(5-acetyloxy-2-oxochromen-7-yl) acetate
CID 850911
(3,5-diacetyloxy-4-prop-1-enylphenyl) acetate
CID 173058806

Frequently Asked Questions

What is the IUPAC name of (3,4,5-triacetyloxyphenyl) acetate?
The IUPAC name of (3,4,5-triacetyloxyphenyl) acetate (CID 15689628) is (3,4,5-triacetyloxyphenyl) acetate.
What is the SMILES notation for (3,4,5-triacetyloxyphenyl) acetate?
The canonical SMILES for (3,4,5-triacetyloxyphenyl) acetate is CC(=O)Oc1cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c1.
What is the InChIKey of (3,4,5-triacetyloxyphenyl) acetate?
The InChIKey is ITTQHEDAARBBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O8/c1-7(15)19-11-5-12(20-8(2)16)14(22-10(4)18)13(6-11)21-9(3)17/h5-6H,1-4H3.
What are the key properties of (3,4,5-triacetyloxyphenyl) acetate?
(3,4,5-triacetyloxyphenyl) acetate has a molecular weight of 310.26 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4,5-triacetyloxyphenyl) acetate is sourced from PubChem (CID 15689628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).