[3-acetyl-4-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate

C16H16O5 — CID 169258569

IUPAC[3-acetyl-4-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(OC(=O)C(=C)C)c(C(C)=O)c1
InChIInChI=1S/C16H16O5/c1-9(2)15(18)20-12-6-7-14(13(8-12)11(5)17)21-16(19)10(3)4/h6-8H,1,3H2,2,4-5H3
InChIKeyOXBWITJYLGWYPN-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.85
Rot. Bonds5

About [3-acetyl-4-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate

[3-acetyl-4-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate (PubChem CID 169258569) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is [3-acetyl-4-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-acetyl-4-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
PubChem CID169258569
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Name[3-acetyl-4-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(OC(=O)C(=C)C)c(C(C)=O)c1
InChIInChI=1S/C16H16O5/c1-9(2)15(18)20-12-6-7-14(13(8-12)11(5)17)21-16(19)10(3)4/h6-8H,1,3H2,2,4-5H3
InChIKeyOXBWITJYLGWYPN-UHFFFAOYSA-N
XLogP2.85
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [3-acetyl-4-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate 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

[4-(2-methylprop-2-enoyloxy)-3-propanoylphenyl] 2-methylprop-2-enoate
CID 169258545
(3-acetyl-4-acetyloxyphenyl) acetate
CID 12746015
(2-acetylphenyl) 2-methylprop-2-enoate
CID 19877902
[6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate
CID 58069127
(4-acetyloxy-3-ethenylphenyl) 2-methylprop-2-enoate
CID 118696254
(3-formyl-4-methoxyphenyl) 2-methylprop-2-enoate
CID 22153350
[3-[4-[3-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate
CID 59739192
[4-(2-methylprop-2-enoyloxy)phenyl] 2-[(Z)-2-methylbut-2-enoyl]oxy-4-(2-methylprop-2-enoyloxy)benzoate
CID 118907446
[3-bromo-4-[4-[2-bromo-4-(2-methylprop-2-enoyloxy)phenoxy]butoxy]phenyl] 2-methylprop-2-enoate
CID 20548978
2-ethoxy-4-(2-methylprop-2-enoyloxy)benzoic acid;hydrochloride
CID 69497171
[3-acetyl-4-(2,2,3,3,3-pentafluoropropanoyloxy)phenyl] 2,2,3,3,3-pentafluoropropanoate
CID 91745219
[4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 20751930

Frequently Asked Questions

What is the IUPAC name of [3-acetyl-4-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate?
The IUPAC name of [3-acetyl-4-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate (CID 169258569) is [3-acetyl-4-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-acetyl-4-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [3-acetyl-4-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(OC(=O)C(=C)C)c(C(C)=O)c1.
What is the InChIKey of [3-acetyl-4-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate?
The InChIKey is OXBWITJYLGWYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O5/c1-9(2)15(18)20-12-6-7-14(13(8-12)11(5)17)21-16(19)10(3)4/h6-8H,1,3H2,2,4-5H3.
What are the key properties of [3-acetyl-4-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate?
[3-acetyl-4-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate has a molecular weight of 288.30 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-acetyl-4-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 169258569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).