(2-acetyloxy-4-ethenylphenyl) acetate

C12H12O4 — CID 11401740

IUPAC(2-acetyloxy-4-ethenylphenyl) acetate
SMILESC=Cc1ccc(OC(C)=O)c(OC(C)=O)c1
InChIInChI=1S/C12H12O4/c1-4-10-5-6-11(15-8(2)13)12(7-10)16-9(3)14/h4-7H,1H2,2-3H3
InChIKeyBGDWDFVUSUCDHI-UHFFFAOYSA-N
MW220.22 g/mol
LogP2.18
Rot. Bonds3

About (2-acetyloxy-4-ethenylphenyl) acetate

(2-acetyloxy-4-ethenylphenyl) acetate (PubChem CID 11401740) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is (2-acetyloxy-4-ethenylphenyl) acetate.

Molecular Properties

Compound Name(2-acetyloxy-4-ethenylphenyl) acetate
PubChem CID11401740
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Name(2-acetyloxy-4-ethenylphenyl) acetate
SMILESC=Cc1ccc(OC(C)=O)c(OC(C)=O)c1
InChIInChI=1S/C12H12O4/c1-4-10-5-6-11(15-8(2)13)12(7-10)16-9(3)14/h4-7H,1H2,2-3H3
InChIKeyBGDWDFVUSUCDHI-UHFFFAOYSA-N
XLogP2.18
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2-acetyloxy-4-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

(2,3-diacetyloxy-5-ethenylphenyl) acetate
CID 54549973
(4-ethenylphenyl) acetate;oxophosphane
CID 175041738
(3-acetyloxy-5-ethenyl-2-ethylphenyl) acetate
CID 174350722
[2-acetyloxy-4-[[5-[(3,4-diacetyloxyphenyl)methylidene]-1,4-dimethyl-3,6-dioxopiperazin-2-ylidene]methyl]phenyl] acetate
CID 76571425
[4-(hydroxyiminomethyl)-2-methoxyphenyl] acetate
CID 4619738
(3-acetyloxy-5-ethenyl-2-iodophenyl) acetate;5-ethenyl-2-iodobenzene-1,3-diol
CID 167639033
(4-sulfanylphenyl) (E)-3-(3,4-diacetyloxyphenyl)prop-2-enoate
CID 129252386
[3-acetyloxy-4-[(E)-3-(3,4-diacetyloxyphenyl)prop-2-enoyl]phenyl] acetate
CID 15927207
[2-acetyloxy-4-[2,2-dichloro-1-(3,4-diacetyloxyphenyl)ethenyl]phenyl] acetate
CID 20539881
[4-[(E)-3-chloro-3-oxoprop-1-enyl]-2-methoxyphenyl] acetate
CID 10858041
[2-ethoxy-5-[(Z)-prop-1-enyl]phenyl] acetate
CID 46865359
4-ethenyl-1,2-dimethoxybenzene
CID 159733418

Frequently Asked Questions

What is the IUPAC name of (2-acetyloxy-4-ethenylphenyl) acetate?
The IUPAC name of (2-acetyloxy-4-ethenylphenyl) acetate (CID 11401740) is (2-acetyloxy-4-ethenylphenyl) acetate.
What is the SMILES notation for (2-acetyloxy-4-ethenylphenyl) acetate?
The canonical SMILES for (2-acetyloxy-4-ethenylphenyl) acetate is C=Cc1ccc(OC(C)=O)c(OC(C)=O)c1.
What is the InChIKey of (2-acetyloxy-4-ethenylphenyl) acetate?
The InChIKey is BGDWDFVUSUCDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4/c1-4-10-5-6-11(15-8(2)13)12(7-10)16-9(3)14/h4-7H,1H2,2-3H3.
What are the key properties of (2-acetyloxy-4-ethenylphenyl) acetate?
(2-acetyloxy-4-ethenylphenyl) acetate has a molecular weight of 220.22 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetyloxy-4-ethenylphenyl) acetate is sourced from PubChem (CID 11401740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).