(2,3-diacetyloxy-5-ethenylphenyl) acetate

C14H14O6 — CID 54549973

IUPAC(2,3-diacetyloxy-5-ethenylphenyl) acetate
SMILESC=Cc1cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c1
InChIInChI=1S/C14H14O6/c1-5-11-6-12(18-8(2)15)14(20-10(4)17)13(7-11)19-9(3)16/h5-7H,1H2,2-4H3
InChIKeyFVQGEBOWYJAQNE-UHFFFAOYSA-N
MW278.26 g/mol
LogP2.11
Rot. Bonds4

About (2,3-diacetyloxy-5-ethenylphenyl) acetate

(2,3-diacetyloxy-5-ethenylphenyl) acetate (PubChem CID 54549973) has the molecular formula C14H14O6 and a molecular weight of 278.26 g/mol. Its IUPAC name is (2,3-diacetyloxy-5-ethenylphenyl) acetate.

Molecular Properties

Compound Name(2,3-diacetyloxy-5-ethenylphenyl) acetate
PubChem CID54549973
Molecular FormulaC14H14O6
Molecular Weight278.26 g/mol
Exact Mass278.08
IUPAC Name(2,3-diacetyloxy-5-ethenylphenyl) acetate
SMILESC=Cc1cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c1
InChIInChI=1S/C14H14O6/c1-5-11-6-12(18-8(2)15)14(20-10(4)17)13(7-11)19-9(3)16/h5-7H,1H2,2-4H3
InChIKeyFVQGEBOWYJAQNE-UHFFFAOYSA-N
XLogP2.11
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2,3-diacetyloxy-5-ethenylphenyl) 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

(3-acetyloxy-5-ethenyl-2-ethylphenyl) acetate
CID 174350722
(2-acetyloxy-4-ethenylphenyl) acetate
CID 11401740
(Z)-3-(3,4,5-triacetyloxyphenyl)prop-2-enoic acid
CID 154640312
[3-acetyloxy-5-[2-(3,4,5-triacetyloxyphenyl)ethenyl]phenyl] acetate
CID 77188815
(3-acetyloxy-5-ethenyl-2-iodophenyl) acetate;5-ethenyl-2-iodobenzene-1,3-diol
CID 167639033
(3,4,5-triacetyloxyphenyl) acetate
CID 15689628
(4-ethenyl-2-ethoxy-6-iodophenyl) acetate
CID 164549667
(2-acetyloxy-5-formyl-3-methylphenyl) acetate
CID 57482558
[3,5-diacetyloxy-4-[3,5-diacetyloxy-4-[3,5-diacetyloxy-4-(3,4,5-triacetyloxyphenoxy)phenoxy]phenoxy]phenyl] acetate
CID 15689630
methyl 3,4,5-triacetyloxybenzoate
CID 10924932
(4-ethenylphenyl) acetate;oxophosphane
CID 175041738
3-(3,4-diacetyloxy-5-methylphenyl)prop-2-enoic acid
CID 70198123

Frequently Asked Questions

What is the IUPAC name of (2,3-diacetyloxy-5-ethenylphenyl) acetate?
The IUPAC name of (2,3-diacetyloxy-5-ethenylphenyl) acetate (CID 54549973) is (2,3-diacetyloxy-5-ethenylphenyl) acetate.
What is the SMILES notation for (2,3-diacetyloxy-5-ethenylphenyl) acetate?
The canonical SMILES for (2,3-diacetyloxy-5-ethenylphenyl) acetate is C=Cc1cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c1.
What is the InChIKey of (2,3-diacetyloxy-5-ethenylphenyl) acetate?
The InChIKey is FVQGEBOWYJAQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O6/c1-5-11-6-12(18-8(2)15)14(20-10(4)17)13(7-11)19-9(3)16/h5-7H,1H2,2-4H3.
What are the key properties of (2,3-diacetyloxy-5-ethenylphenyl) acetate?
(2,3-diacetyloxy-5-ethenylphenyl) acetate has a molecular weight of 278.26 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-diacetyloxy-5-ethenylphenyl) acetate is sourced from PubChem (CID 54549973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).