(4-acetyloxy-3-ethenylphenyl) 2-methylprop-2-enoate

C14H14O4 — CID 118696254

IUPAC(4-acetyloxy-3-ethenylphenyl) 2-methylprop-2-enoate
SMILESC=Cc1cc(OC(=O)C(=C)C)ccc1OC(C)=O
InChIInChI=1S/C14H14O4/c1-5-11-8-12(18-14(16)9(2)3)6-7-13(11)17-10(4)15/h5-8H,1-2H2,3-4H3
InChIKeyOEBJXNZOAAZLGP-UHFFFAOYSA-N
MW246.26 g/mol
LogP2.74
Rot. Bonds4

About (4-acetyloxy-3-ethenylphenyl) 2-methylprop-2-enoate

(4-acetyloxy-3-ethenylphenyl) 2-methylprop-2-enoate (PubChem CID 118696254) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is (4-acetyloxy-3-ethenylphenyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(4-acetyloxy-3-ethenylphenyl) 2-methylprop-2-enoate
PubChem CID118696254
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name(4-acetyloxy-3-ethenylphenyl) 2-methylprop-2-enoate
SMILESC=Cc1cc(OC(=O)C(=C)C)ccc1OC(C)=O
InChIInChI=1S/C14H14O4/c1-5-11-8-12(18-14(16)9(2)3)6-7-13(11)17-10(4)15/h5-8H,1-2H2,3-4H3
InChIKeyOEBJXNZOAAZLGP-UHFFFAOYSA-N
XLogP2.74
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-formyl-4-methoxyphenyl) 2-methylprop-2-enoate
CID 22153350
[3-acetyl-4-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
CID 169258569
(2-ethenylphenyl) 2-methylprop-2-enoate
CID 19607397
(4-cyano-2-ethenylphenyl) acetate
CID 10631434
[4-(chloromethyl)-2-ethenylphenyl] acetate
CID 66808261
(4-ethenyl-3-hydroxyphenyl) acetate
CID 130034523
(3-acetyloxy-4-ethenylphenyl) 2,2-dimethylpropanoate
CID 10730185
[6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate
CID 58069127
benzene;(2-ethenylphenyl) acetate
CID 175577038
(3-bromo-4-ethenylphenyl) acetate
CID 151856352
[4-(4-ethenylphenyl)phenyl] 2-methylprop-2-enoate
CID 90249392
[4-(2-methylprop-2-enoyloxy)-3-propanoylphenyl] 2-methylprop-2-enoate
CID 169258545

Frequently Asked Questions

What is the IUPAC name of (4-acetyloxy-3-ethenylphenyl) 2-methylprop-2-enoate?
The IUPAC name of (4-acetyloxy-3-ethenylphenyl) 2-methylprop-2-enoate (CID 118696254) is (4-acetyloxy-3-ethenylphenyl) 2-methylprop-2-enoate.
What is the SMILES notation for (4-acetyloxy-3-ethenylphenyl) 2-methylprop-2-enoate?
The canonical SMILES for (4-acetyloxy-3-ethenylphenyl) 2-methylprop-2-enoate is C=Cc1cc(OC(=O)C(=C)C)ccc1OC(C)=O.
What is the InChIKey of (4-acetyloxy-3-ethenylphenyl) 2-methylprop-2-enoate?
The InChIKey is OEBJXNZOAAZLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c1-5-11-8-12(18-14(16)9(2)3)6-7-13(11)17-10(4)15/h5-8H,1-2H2,3-4H3.
What are the key properties of (4-acetyloxy-3-ethenylphenyl) 2-methylprop-2-enoate?
(4-acetyloxy-3-ethenylphenyl) 2-methylprop-2-enoate has a molecular weight of 246.26 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetyloxy-3-ethenylphenyl) 2-methylprop-2-enoate is sourced from PubChem (CID 118696254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).