(3-acetyloxy-2,4-dihydroxyphenyl) acetate

C10H10O6 — CID 23045362

IUPAC(3-acetyloxy-2,4-dihydroxyphenyl) acetate
SMILESCC(=O)Oc1ccc(O)c(OC(C)=O)c1O
InChIInChI=1S/C10H10O6/c1-5(11)15-8-4-3-7(13)10(9(8)14)16-6(2)12/h3-4,13-14H,1-2H3
InChIKeyURBIWDSDEIZTKJ-UHFFFAOYSA-N
MW226.18 g/mol
LogP0.95
Rot. Bonds2

About (3-acetyloxy-2,4-dihydroxyphenyl) acetate

(3-acetyloxy-2,4-dihydroxyphenyl) acetate (PubChem CID 23045362) has the molecular formula C10H10O6 and a molecular weight of 226.18 g/mol. Its IUPAC name is (3-acetyloxy-2,4-dihydroxyphenyl) acetate.

Molecular Properties

Compound Name(3-acetyloxy-2,4-dihydroxyphenyl) acetate
PubChem CID23045362
Molecular FormulaC10H10O6
Molecular Weight226.18 g/mol
Exact Mass226.05
IUPAC Name(3-acetyloxy-2,4-dihydroxyphenyl) acetate
SMILESCC(=O)Oc1ccc(O)c(OC(C)=O)c1O
InChIInChI=1S/C10H10O6/c1-5(11)15-8-4-3-7(13)10(9(8)14)16-6(2)12/h3-4,13-14H,1-2H3
InChIKeyURBIWDSDEIZTKJ-UHFFFAOYSA-N
XLogP0.95
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2,6-dihydroxyphenyl) acetate
CID 19910305
(2,3-dicyano-4-hydroxyphenyl) acetate
CID 69337049
(2-acetyl-6-hydroxyphenyl) acetate
CID 586390
(3-acetyloxy-4-hydroxyphenyl) acetate
CID 54508975
(3-acetyloxy-4-hydroxy-2-iodo-5-methoxyphenyl) acetate
CID 163968494
(3-tert-butyl-4-hydroxy-2-iodophenyl) acetate
CID 87177872
(4-tert-butyl-2-hydroxyphenyl) acetate
CID 13029116
(2-acetyloxy-3-iodo-4-methoxyphenyl) acetate
CID 66651996
(2-acetyloxy-3,4-diethylphenyl) acetate
CID 18540629
[2-[[2-acetyloxy-3-[bis(2-acetyloxyphenyl)methyl]phenyl]-(2-acetyloxyphenyl)methyl]phenyl] acetate
CID 59317424
(2,4-dimethoxy-3-methylphenyl) acetate
CID 10899866
(2-acetyloxy-3-methoxyphenyl) acetate
CID 11564821

Frequently Asked Questions

What is the IUPAC name of (3-acetyloxy-2,4-dihydroxyphenyl) acetate?
The IUPAC name of (3-acetyloxy-2,4-dihydroxyphenyl) acetate (CID 23045362) is (3-acetyloxy-2,4-dihydroxyphenyl) acetate.
What is the SMILES notation for (3-acetyloxy-2,4-dihydroxyphenyl) acetate?
The canonical SMILES for (3-acetyloxy-2,4-dihydroxyphenyl) acetate is CC(=O)Oc1ccc(O)c(OC(C)=O)c1O.
What is the InChIKey of (3-acetyloxy-2,4-dihydroxyphenyl) acetate?
The InChIKey is URBIWDSDEIZTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O6/c1-5(11)15-8-4-3-7(13)10(9(8)14)16-6(2)12/h3-4,13-14H,1-2H3.
What are the key properties of (3-acetyloxy-2,4-dihydroxyphenyl) acetate?
(3-acetyloxy-2,4-dihydroxyphenyl) acetate has a molecular weight of 226.18 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetyloxy-2,4-dihydroxyphenyl) acetate is sourced from PubChem (CID 23045362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).