(3-acetyloxyphenyl) acetate

C10H10O4 — CID 7942

IUPAC(3-acetyloxyphenyl) acetate
SMILESCC(=O)Oc1cccc(OC(C)=O)c1
InChIInChI=1S/C10H10O4/c1-7(11)13-9-4-3-5-10(6-9)14-8(2)12/h3-6H,1-2H3
InChIKeySTOUHHBZBQBYHH-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.54
Rot. Bonds2

About (3-acetyloxyphenyl) acetate

(3-acetyloxyphenyl) acetate (PubChem CID 7942) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is (3-acetyloxyphenyl) acetate.

Molecular Properties

Compound Name(3-acetyloxyphenyl) acetate
PubChem CID7942
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name(3-acetyloxyphenyl) acetate
SMILESCC(=O)Oc1cccc(OC(C)=O)c1
InChIInChI=1S/C10H10O4/c1-7(11)13-9-4-3-5-10(6-9)14-8(2)12/h3-6H,1-2H3
InChIKeySTOUHHBZBQBYHH-UHFFFAOYSA-N
XLogP1.54
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-Trimethoxybenzene
CID 69301
Phenyl acetate
CID 31229
Acetylresorcinol
CID 5055
1,3-Dimethoxybenzene
CID 9025
Catechol diacetate
CID 12479
1,3-Bis(2-hydroxyethoxy)benzene
CID 66885
Hydroquinone diacetate
CID 71006
Phenyl butyrate
CID 20354
3-Ethoxyphenol
CID 69306
1,2,4-Triacetoxybenzene
CID 69169
2-(3-Methoxyphenoxy)acetic acid
CID 74969
1,3-Diphenoxybenzene
CID 76911

Frequently Asked Questions

What is the IUPAC name of (3-acetyloxyphenyl) acetate?
The IUPAC name of (3-acetyloxyphenyl) acetate (CID 7942) is (3-acetyloxyphenyl) acetate.
What is the SMILES notation for (3-acetyloxyphenyl) acetate?
The canonical SMILES for (3-acetyloxyphenyl) acetate is CC(=O)Oc1cccc(OC(C)=O)c1.
What is the InChIKey of (3-acetyloxyphenyl) acetate?
The InChIKey is STOUHHBZBQBYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c1-7(11)13-9-4-3-5-10(6-9)14-8(2)12/h3-6H,1-2H3.
What are the key properties of (3-acetyloxyphenyl) acetate?
(3-acetyloxyphenyl) acetate has a molecular weight of 194.19 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetyloxyphenyl) acetate is sourced from PubChem (CID 7942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).