(2-acetyloxy-3-methoxyphenyl) acetate

C11H12O5 — CID 11564821

IUPAC(2-acetyloxy-3-methoxyphenyl) acetate
SMILESCOc1cccc(OC(C)=O)c1OC(C)=O
InChIInChI=1S/C11H12O5/c1-7(12)15-10-6-4-5-9(14-3)11(10)16-8(2)13/h4-6H,1-3H3
InChIKeyLKUFCKMSZCIWEF-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.55
Rot. Bonds3

About (2-acetyloxy-3-methoxyphenyl) acetate

(2-acetyloxy-3-methoxyphenyl) acetate (PubChem CID 11564821) has the molecular formula C11H12O5 and a molecular weight of 224.21 g/mol. Its IUPAC name is (2-acetyloxy-3-methoxyphenyl) acetate.

Molecular Properties

Compound Name(2-acetyloxy-3-methoxyphenyl) acetate
PubChem CID11564821
Molecular FormulaC11H12O5
Molecular Weight224.21 g/mol
Exact Mass224.07
IUPAC Name(2-acetyloxy-3-methoxyphenyl) acetate
SMILESCOc1cccc(OC(C)=O)c1OC(C)=O
InChIInChI=1S/C11H12O5/c1-7(12)15-10-6-4-5-9(14-3)11(10)16-8(2)13/h4-6H,1-3H3
InChIKeyLKUFCKMSZCIWEF-UHFFFAOYSA-N
XLogP1.55
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2,3-dimethoxy-7-oxocyclohepta-1,3,5-trien-1-yl) acetate
CID 135037831
(2-acetyl-3-methoxyphenyl) acetate
CID 15090735
(2-acetyloxy-3-fluorophenyl) acetate
CID 540078
(2-methoxy-6-propylphenyl) acetate
CID 170893292
(4-acetyloxy-3,8-dimethoxynaphthalen-1-yl) acetate
CID 19873029
(2-acetyloxy-3-iodo-4-methoxyphenyl) acetate
CID 66651996
(2,3-dimethoxyphenyl) methyl carbonate
CID 19833381
(2,4-dimethoxy-3-methylphenyl) acetate
CID 10899866
bis(2,6-dimethoxyphenyl) butanedioate
CID 91737376
(E)-3-(2-acetyloxy-3-methoxyphenyl)-2-methylprop-2-enoic acid
CID 170873188
acetyl 2,6-dimethoxybenzoate
CID 57154954
(2-butanoyloxy-3-methoxyphenyl) butanoate
CID 140675737

Frequently Asked Questions

What is the IUPAC name of (2-acetyloxy-3-methoxyphenyl) acetate?
The IUPAC name of (2-acetyloxy-3-methoxyphenyl) acetate (CID 11564821) is (2-acetyloxy-3-methoxyphenyl) acetate.
What is the SMILES notation for (2-acetyloxy-3-methoxyphenyl) acetate?
The canonical SMILES for (2-acetyloxy-3-methoxyphenyl) acetate is COc1cccc(OC(C)=O)c1OC(C)=O.
What is the InChIKey of (2-acetyloxy-3-methoxyphenyl) acetate?
The InChIKey is LKUFCKMSZCIWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O5/c1-7(12)15-10-6-4-5-9(14-3)11(10)16-8(2)13/h4-6H,1-3H3.
What are the key properties of (2-acetyloxy-3-methoxyphenyl) acetate?
(2-acetyloxy-3-methoxyphenyl) acetate has a molecular weight of 224.21 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetyloxy-3-methoxyphenyl) acetate is sourced from PubChem (CID 11564821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).