2,6-diacetyloxybenzoic acid

C11H10O6 — CID 10007406

IUPAC2,6-diacetyloxybenzoic acid
SMILESCC(=O)Oc1cccc(OC(C)=O)c1C(=O)O
InChIInChI=1S/C11H10O6/c1-6(12)16-8-4-3-5-9(17-7(2)13)10(8)11(14)15/h3-5H,1-2H3,(H,14,15)
InChIKeyUIPIHJQNWPTPIO-UHFFFAOYSA-N
MW238.19 g/mol
LogP1.24
Rot. Bonds3

About 2,6-diacetyloxybenzoic acid

2,6-diacetyloxybenzoic acid (PubChem CID 10007406) has the molecular formula C11H10O6 and a molecular weight of 238.19 g/mol. Its IUPAC name is 2,6-diacetyloxybenzoic acid.

Molecular Properties

Compound Name2,6-diacetyloxybenzoic acid
PubChem CID10007406
Molecular FormulaC11H10O6
Molecular Weight238.19 g/mol
Exact Mass238.05
IUPAC Name2,6-diacetyloxybenzoic acid
SMILESCC(=O)Oc1cccc(OC(C)=O)c1C(=O)O
InChIInChI=1S/C11H10O6/c1-6(12)16-8-4-3-5-9(17-7(2)13)10(8)11(14)15/h3-5H,1-2H3,(H,14,15)
InChIKeyUIPIHJQNWPTPIO-UHFFFAOYSA-N
XLogP1.24
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-acetyloxy-6-nitrooxybenzoic acid
CID 174409758
(2-acetyl-3-methoxyphenyl) acetate
CID 15090735
3-acetyloxy-2-methoxycarbonylbenzoic acid
CID 138974529
2,6-bis(2,2-dimethylpropanoyloxy)benzoic acid
CID 67574318
2-carboxyoxy-6-hydroxybenzoic acid
CID 18430416
3-acetyloxy-2-methylbenzoic acid
CID 3798557
2-acetyloxynaphthalene-1,8-dicarboxylic acid
CID 67684685
3-acetyloxy-2-methylbenzoic acid;hydrochloride
CID 172770028
potassium;2-acetyloxybenzoic acid;chloride
CID 161210106
2-acetyloxybenzoic acid;ethene
CID 67877309
2-(2-carboxy-3-hydroxyphenoxy)-6-hydroxybenzoic acid
CID 18628402
2-[2-(2-acetyloxybenzoyl)oxybenzoyl]oxybenzoic acid
CID 67421543

Frequently Asked Questions

What is the IUPAC name of 2,6-diacetyloxybenzoic acid?
The IUPAC name of 2,6-diacetyloxybenzoic acid (CID 10007406) is 2,6-diacetyloxybenzoic acid.
What is the SMILES notation for 2,6-diacetyloxybenzoic acid?
The canonical SMILES for 2,6-diacetyloxybenzoic acid is CC(=O)Oc1cccc(OC(C)=O)c1C(=O)O.
What is the InChIKey of 2,6-diacetyloxybenzoic acid?
The InChIKey is UIPIHJQNWPTPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O6/c1-6(12)16-8-4-3-5-9(17-7(2)13)10(8)11(14)15/h3-5H,1-2H3,(H,14,15).
What are the key properties of 2,6-diacetyloxybenzoic acid?
2,6-diacetyloxybenzoic acid has a molecular weight of 238.19 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diacetyloxybenzoic acid is sourced from PubChem (CID 10007406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).