3-(4-prop-2-enoyloxyphenyl)prop-2-enyl prop-2-enoate

C15H14O4 — CID 54376177

IUPAC3-(4-prop-2-enoyloxyphenyl)prop-2-enyl prop-2-enoate
SMILESC=CC(=O)OCC=Cc1ccc(OC(=O)C=C)cc1
InChIInChI=1S/C15H14O4/c1-3-14(16)18-11-5-6-12-7-9-13(10-8-12)19-15(17)4-2/h3-10H,1-2,11H2
InChIKeyUWQFIOOFDCKXKD-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.52
Rot. Bonds6

About 3-(4-prop-2-enoyloxyphenyl)prop-2-enyl prop-2-enoate

3-(4-prop-2-enoyloxyphenyl)prop-2-enyl prop-2-enoate (PubChem CID 54376177) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 3-(4-prop-2-enoyloxyphenyl)prop-2-enyl prop-2-enoate.

Molecular Properties

Compound Name3-(4-prop-2-enoyloxyphenyl)prop-2-enyl prop-2-enoate
PubChem CID54376177
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name3-(4-prop-2-enoyloxyphenyl)prop-2-enyl prop-2-enoate
SMILESC=CC(=O)OCC=Cc1ccc(OC(=O)C=C)cc1
InChIInChI=1S/C15H14O4/c1-3-14(16)18-11-5-6-12-7-9-13(10-8-12)19-15(17)4-2/h3-10H,1-2,11H2
InChIKeyUWQFIOOFDCKXKD-UHFFFAOYSA-N
XLogP2.52
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.52
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

tert-butyl (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate
CID 89400379
[4-[4-(4-prop-2-enoyloxyphenyl)sulfanylphenyl]sulfanylphenyl] prop-2-enoate
CID 59739086
bis[(E)-3-phenylprop-2-enyl] (Z)-but-2-enedioate
CID 70543374
[4-[2-(4-benzhydrylphenyl)ethenyl]phenyl] prop-2-enoate
CID 58203279
[(E)-3-(furan-2-yl)prop-2-enyl] prop-2-enoate
CID 164665963
3-[4-[(E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoyl]sulfanylphenoxy]propyl prop-2-enoate
CID 155241809
(4-hydroxyphenyl) prop-2-enoate;methoxymethane
CID 67882332
[4-(4-methyl-N-[4-[2-[4-[2-[4-(4-methyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl] prop-2-enoate
CID 58807715
3-phenoxyprop-2-enyl prop-2-enoate
CID 66647302
[(Z)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enyl] 2-diazoacetate
CID 101082359
[4-(2-oxoethyl)phenyl] prop-2-enoate
CID 141400952
S-[4-[3-(4-prop-2-enoylsulfanylphenoxy)prop-1-enyl]phenyl] prop-2-enethioate
CID 123983892

Frequently Asked Questions

What is the IUPAC name of 3-(4-prop-2-enoyloxyphenyl)prop-2-enyl prop-2-enoate?
The IUPAC name of 3-(4-prop-2-enoyloxyphenyl)prop-2-enyl prop-2-enoate (CID 54376177) is 3-(4-prop-2-enoyloxyphenyl)prop-2-enyl prop-2-enoate.
What is the SMILES notation for 3-(4-prop-2-enoyloxyphenyl)prop-2-enyl prop-2-enoate?
The canonical SMILES for 3-(4-prop-2-enoyloxyphenyl)prop-2-enyl prop-2-enoate is C=CC(=O)OCC=Cc1ccc(OC(=O)C=C)cc1.
What is the InChIKey of 3-(4-prop-2-enoyloxyphenyl)prop-2-enyl prop-2-enoate?
The InChIKey is UWQFIOOFDCKXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-3-14(16)18-11-5-6-12-7-9-13(10-8-12)19-15(17)4-2/h3-10H,1-2,11H2.
What are the key properties of 3-(4-prop-2-enoyloxyphenyl)prop-2-enyl prop-2-enoate?
3-(4-prop-2-enoyloxyphenyl)prop-2-enyl prop-2-enoate has a molecular weight of 258.27 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-prop-2-enoyloxyphenyl)prop-2-enyl prop-2-enoate is sourced from PubChem (CID 54376177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).