(2-acetyloxyphenyl) acetate

C10H10O4 — CID 12479

IUPAC(2-acetyloxyphenyl) acetate
SMILESCC(=O)Oc1ccccc1OC(C)=O
InChIInChI=1S/C10H10O4/c1-7(11)13-9-5-3-4-6-10(9)14-8(2)12/h3-6H,1-2H3
InChIKeyFBSAITBEAPNWJG-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.54
Rot. Bonds2

About (2-acetyloxyphenyl) acetate

(2-acetyloxyphenyl) acetate (PubChem CID 12479) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is (2-acetyloxyphenyl) acetate.

Molecular Properties

Compound Name(2-acetyloxyphenyl) acetate
PubChem CID12479
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name(2-acetyloxyphenyl) acetate
SMILESCC(=O)Oc1ccccc1OC(C)=O
InChIInChI=1S/C10H10O4/c1-7(11)13-9-5-3-4-6-10(9)14-8(2)12/h3-6H,1-2H3
InChIKeyFBSAITBEAPNWJG-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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Frequently Asked Questions

What is the IUPAC name of (2-acetyloxyphenyl) acetate?
The IUPAC name of (2-acetyloxyphenyl) acetate (CID 12479) is (2-acetyloxyphenyl) acetate.
What is the SMILES notation for (2-acetyloxyphenyl) acetate?
The canonical SMILES for (2-acetyloxyphenyl) acetate is CC(=O)Oc1ccccc1OC(C)=O.
What is the InChIKey of (2-acetyloxyphenyl) acetate?
The InChIKey is FBSAITBEAPNWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c1-7(11)13-9-5-3-4-6-10(9)14-8(2)12/h3-6H,1-2H3.
What are the key properties of (2-acetyloxyphenyl) acetate?
(2-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 (2-acetyloxyphenyl) acetate is sourced from PubChem (CID 12479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).