(3-acetyloxy-4-formyl-5-hydroxyphenyl) acetate

C11H10O6 — CID 11806680

IUPAC(3-acetyloxy-4-formyl-5-hydroxyphenyl) acetate
SMILESCC(=O)Oc1cc(O)c(C=O)c(OC(C)=O)c1
InChIInChI=1S/C11H10O6/c1-6(13)16-8-3-10(15)9(5-12)11(4-8)17-7(2)14/h3-5,15H,1-2H3
InChIKeyIULYROKRCRZRES-UHFFFAOYSA-N
MW238.19 g/mol
LogP1.06
Rot. Bonds3

About (3-acetyloxy-4-formyl-5-hydroxyphenyl) acetate

(3-acetyloxy-4-formyl-5-hydroxyphenyl) acetate (PubChem CID 11806680) has the molecular formula C11H10O6 and a molecular weight of 238.19 g/mol. Its IUPAC name is (3-acetyloxy-4-formyl-5-hydroxyphenyl) acetate.

Molecular Properties

Compound Name(3-acetyloxy-4-formyl-5-hydroxyphenyl) acetate
PubChem CID11806680
Molecular FormulaC11H10O6
Molecular Weight238.19 g/mol
Exact Mass238.05
IUPAC Name(3-acetyloxy-4-formyl-5-hydroxyphenyl) acetate
SMILESCC(=O)Oc1cc(O)c(C=O)c(OC(C)=O)c1
InChIInChI=1S/C11H10O6/c1-6(13)16-8-3-10(15)9(5-12)11(4-8)17-7(2)14/h3-5,15H,1-2H3
InChIKeyIULYROKRCRZRES-UHFFFAOYSA-N
XLogP1.06
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-formyl-3-hydroxy-5-methoxyphenyl) acetate
CID 141315375
(3,5-diacetyloxy-4-prop-1-enylphenyl) acetate
CID 173058806
(3-benzoyloxy-4-formyl-5-hydroxyphenyl) benzoate
CID 131871766
(3,4,5-triacetyloxyphenyl) acetate
CID 15689628
(3-acetyloxy-4-hydroxyphenyl) acetate
CID 54508975
(2-formyl-3,4,5-trimethylphenyl) acetate
CID 121009524
acetic acid;(4-formyl-3-hydroxyphenyl) acetate
CID 87581863
[3-[2,6-diacetyloxy-4-(2,4,6-triacetyloxyphenoxy)phenoxy]-5-(2,4,6-triacetyloxyphenoxy)phenyl] acetate
CID 23426767
[3,5-diacetyloxy-4-[2,4,6-triacetyloxy-3-[2,4,6-triacetyloxy-3-(2,4,6-triacetyloxyphenyl)phenyl]phenyl]phenyl] acetate
CID 23428250
2-hydroxy-4-methoxy-6-methylbenzaldehyde
CID 596815
[3,5-diacetyloxy-4-[3,5-diacetyloxy-4-[3,5-diacetyloxy-4-(3,4,5-triacetyloxyphenoxy)phenoxy]phenoxy]phenyl] acetate
CID 15689630
(4-formyl-3-methoxyphenyl) acetate
CID 22633336

Frequently Asked Questions

What is the IUPAC name of (3-acetyloxy-4-formyl-5-hydroxyphenyl) acetate?
The IUPAC name of (3-acetyloxy-4-formyl-5-hydroxyphenyl) acetate (CID 11806680) is (3-acetyloxy-4-formyl-5-hydroxyphenyl) acetate.
What is the SMILES notation for (3-acetyloxy-4-formyl-5-hydroxyphenyl) acetate?
The canonical SMILES for (3-acetyloxy-4-formyl-5-hydroxyphenyl) acetate is CC(=O)Oc1cc(O)c(C=O)c(OC(C)=O)c1.
What is the InChIKey of (3-acetyloxy-4-formyl-5-hydroxyphenyl) acetate?
The InChIKey is IULYROKRCRZRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O6/c1-6(13)16-8-3-10(15)9(5-12)11(4-8)17-7(2)14/h3-5,15H,1-2H3.
What are the key properties of (3-acetyloxy-4-formyl-5-hydroxyphenyl) acetate?
(3-acetyloxy-4-formyl-5-hydroxyphenyl) acetate has a molecular weight of 238.19 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetyloxy-4-formyl-5-hydroxyphenyl) acetate is sourced from PubChem (CID 11806680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).