(2-acetyl-6-hydroxyphenyl) acetate

C10H10O4 — CID 586390

IUPAC(2-acetyl-6-hydroxyphenyl) acetate
SMILESCC(=O)Oc1c(O)cccc1C(C)=O
InChIInChI=1S/C10H10O4/c1-6(11)8-4-3-5-9(13)10(8)14-7(2)12/h3-5,13H,1-2H3
InChIKeyCKENRMIAJLLVAE-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.52
Rot. Bonds2

About (2-acetyl-6-hydroxyphenyl) acetate

(2-acetyl-6-hydroxyphenyl) acetate (PubChem CID 586390) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is (2-acetyl-6-hydroxyphenyl) acetate.

Molecular Properties

Compound Name(2-acetyl-6-hydroxyphenyl) acetate
PubChem CID586390
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name(2-acetyl-6-hydroxyphenyl) acetate
SMILESCC(=O)Oc1c(O)cccc1C(C)=O
InChIInChI=1S/C10H10O4/c1-6(11)8-4-3-5-9(13)10(8)14-7(2)12/h3-5,13H,1-2H3
InChIKeyCKENRMIAJLLVAE-UHFFFAOYSA-N
XLogP1.52
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2-acetyl-6-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

(2,6-dihydroxyphenyl) acetate
CID 19910305
3-acetyl-2-acetyloxybenzoic acid
CID 18432402
2-(2-hydroxyethoxy)ethyl 3-acetyl-2-acetyloxybenzoate
CID 22620908
1-(4-hydroxynaphthalen-1-yl)ethanone;methoxymethane
CID 174734462
cerium;1-(2-hydroxyphenyl)ethanone
CID 174280590
bis(1-(2-hydroxyphenyl)ethanone);zirconium
CID 87865139
(3-acetyloxy-5-hydroxy-2-oxochromen-4-yl) acetate
CID 19928858
(3-acetyloxy-2,4-dihydroxyphenyl) acetate
CID 23045362
aluminum tris(2-acetyloxy-3-carboxyphenolate)
CID 70582813
(7-hydroxy-1H-indol-3-yl) acetate
CID 174769311
2-acetyloxy-3-hydroperoxybenzoic acid
CID 173352180
(2,6-diethylphenyl) acetate
CID 23273842

Frequently Asked Questions

What is the IUPAC name of (2-acetyl-6-hydroxyphenyl) acetate?
The IUPAC name of (2-acetyl-6-hydroxyphenyl) acetate (CID 586390) is (2-acetyl-6-hydroxyphenyl) acetate.
What is the SMILES notation for (2-acetyl-6-hydroxyphenyl) acetate?
The canonical SMILES for (2-acetyl-6-hydroxyphenyl) acetate is CC(=O)Oc1c(O)cccc1C(C)=O.
What is the InChIKey of (2-acetyl-6-hydroxyphenyl) acetate?
The InChIKey is CKENRMIAJLLVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c1-6(11)8-4-3-5-9(13)10(8)14-7(2)12/h3-5,13H,1-2H3.
What are the key properties of (2-acetyl-6-hydroxyphenyl) acetate?
(2-acetyl-6-hydroxyphenyl) acetate has a molecular weight of 194.19 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetyl-6-hydroxyphenyl) acetate is sourced from PubChem (CID 586390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).