(3-acetyloxy-4-hydroxyphenyl) acetate

C10H10O5 — CID 54508975

IUPAC(3-acetyloxy-4-hydroxyphenyl) acetate
SMILESCC(=O)Oc1ccc(O)c(OC(C)=O)c1
InChIInChI=1S/C10H10O5/c1-6(11)14-8-3-4-9(13)10(5-8)15-7(2)12/h3-5,13H,1-2H3
InChIKeyZMEOOOCQLULPNJ-UHFFFAOYSA-N
MW210.18 g/mol
LogP1.24
Rot. Bonds2

About (3-acetyloxy-4-hydroxyphenyl) acetate

(3-acetyloxy-4-hydroxyphenyl) acetate (PubChem CID 54508975) has the molecular formula C10H10O5 and a molecular weight of 210.18 g/mol. Its IUPAC name is (3-acetyloxy-4-hydroxyphenyl) acetate.

Molecular Properties

Compound Name(3-acetyloxy-4-hydroxyphenyl) acetate
PubChem CID54508975
Molecular FormulaC10H10O5
Molecular Weight210.18 g/mol
Exact Mass210.05
IUPAC Name(3-acetyloxy-4-hydroxyphenyl) acetate
SMILESCC(=O)Oc1ccc(O)c(OC(C)=O)c1
InChIInChI=1S/C10H10O5/c1-6(11)14-8-3-4-9(13)10(5-8)15-7(2)12/h3-5,13H,1-2H3
InChIKeyZMEOOOCQLULPNJ-UHFFFAOYSA-N
XLogP1.24
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3-acetyloxy-4-hydroxyphenyl) acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-acetyloxy-4-(2,4-diacetyloxybenzoyl)phenyl] acetate
CID 86176236
(3-acetyloxy-4-methylphenyl) acetate;4-methylbenzene-1,3-diol
CID 157361976
(3,4-dimethoxyphenyl) acetate
CID 593001
(4-chloro-3-hydroxyphenyl) acetate
CID 11052361
(3-acetyl-4-acetyloxyphenyl) acetate
CID 12746015
(4-hydroxy-3-propylphenyl) acetate
CID 151790700
(2-hydroxy-5-phenylphenyl) acetate
CID 19755516
(3-acetyloxy-4-propylphenyl) acetate
CID 14592780
(4-acetyloxy-3-sulfamoylphenyl) acetate
CID 117060873
(3,4,5-triacetyloxyphenyl) acetate
CID 15689628
[3-acetyloxy-4-[(Z)-N-acetyloxy-C-methylcarbonimidoyl]phenyl] acetate
CID 6000615
[2-(2-acetyloxy-4-methoxybenzoyl)-5-methoxyphenyl] acetate
CID 121279078

Frequently Asked Questions

What is the IUPAC name of (3-acetyloxy-4-hydroxyphenyl) acetate?
The IUPAC name of (3-acetyloxy-4-hydroxyphenyl) acetate (CID 54508975) is (3-acetyloxy-4-hydroxyphenyl) acetate.
What is the SMILES notation for (3-acetyloxy-4-hydroxyphenyl) acetate?
The canonical SMILES for (3-acetyloxy-4-hydroxyphenyl) acetate is CC(=O)Oc1ccc(O)c(OC(C)=O)c1.
What is the InChIKey of (3-acetyloxy-4-hydroxyphenyl) acetate?
The InChIKey is ZMEOOOCQLULPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O5/c1-6(11)14-8-3-4-9(13)10(5-8)15-7(2)12/h3-5,13H,1-2H3.
What are the key properties of (3-acetyloxy-4-hydroxyphenyl) acetate?
(3-acetyloxy-4-hydroxyphenyl) acetate has a molecular weight of 210.18 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetyloxy-4-hydroxyphenyl) acetate is sourced from PubChem (CID 54508975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).