[3-(2-methylprop-2-enoyloxy)-5-[(E)-2-phenylethenyl]phenyl] 2-methylprop-2-enoate

C22H20O4 — CID 155004792

IUPAC[3-(2-methylprop-2-enoyloxy)-5-[(E)-2-phenylethenyl]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cc(/C=C/c2ccccc2)cc(OC(=O)C(=C)C)c1
InChIInChI=1S/C22H20O4/c1-15(2)21(23)25-19-12-18(11-10-17-8-6-5-7-9-17)13-20(14-19)26-22(24)16(3)4/h5-14H,1,3H2,2,4H3/b11-10+
InChIKeyOHHCCEFDKFWWJZ-ZHACJKMWSA-N
MW348.40 g/mol
LogP4.82
Rot. Bonds6

About [3-(2-methylprop-2-enoyloxy)-5-[(E)-2-phenylethenyl]phenyl] 2-methylprop-2-enoate

[3-(2-methylprop-2-enoyloxy)-5-[(E)-2-phenylethenyl]phenyl] 2-methylprop-2-enoate (PubChem CID 155004792) has the molecular formula C22H20O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is [3-(2-methylprop-2-enoyloxy)-5-[(E)-2-phenylethenyl]phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-(2-methylprop-2-enoyloxy)-5-[(E)-2-phenylethenyl]phenyl] 2-methylprop-2-enoate
PubChem CID155004792
Molecular FormulaC22H20O4
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Name[3-(2-methylprop-2-enoyloxy)-5-[(E)-2-phenylethenyl]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cc(/C=C/c2ccccc2)cc(OC(=O)C(=C)C)c1
InChIInChI=1S/C22H20O4/c1-15(2)21(23)25-19-12-18(11-10-17-8-6-5-7-9-17)13-20(14-19)26-22(24)16(3)4/h5-14H,1,3H2,2,4H3/b11-10+
InChIKeyOHHCCEFDKFWWJZ-ZHACJKMWSA-N
XLogP4.82
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.82
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

[3-[(E)-2-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 155004805
[4-(2-phenylethenyl)phenyl] 2-methylprop-2-enoate
CID 54432121
phenyl 2-methylprop-2-enoate;styrene
CID 22227486
2-methylprop-2-enoic acid;phenyl 2-methylprop-2-enoate
CID 69302463
[4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenyl] 2-methylprop-2-enoate
CID 70479424
phenyl 2-methylprop-2-enoate;phenyl prop-2-enoate
CID 20561455
[3-[2-[2-fluoro-4-[2-[2-(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 123770699
[4-[2-[4-[2-[3-(2-methylprop-2-enoyloxy)phenyl]ethenyl]-3-(trifluoromethyl)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 123826970
[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenoxy]-3-oxoprop-1-enyl]phenyl] 2-methylprop-2-enoate
CID 118657767
2-methylprop-2-enoic acid;[(E)-2-phenylethenyl] 2-methylprop-2-enoate
CID 138598568
acetic acid;stilbene
CID 172803728
[3-oxo-3-[4-(2-phenylethenyl)phenoxy]propyl] 2-methylprop-2-enoate
CID 118976656

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylprop-2-enoyloxy)-5-[(E)-2-phenylethenyl]phenyl] 2-methylprop-2-enoate?
The IUPAC name of [3-(2-methylprop-2-enoyloxy)-5-[(E)-2-phenylethenyl]phenyl] 2-methylprop-2-enoate (CID 155004792) is [3-(2-methylprop-2-enoyloxy)-5-[(E)-2-phenylethenyl]phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-(2-methylprop-2-enoyloxy)-5-[(E)-2-phenylethenyl]phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [3-(2-methylprop-2-enoyloxy)-5-[(E)-2-phenylethenyl]phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1cc(/C=C/c2ccccc2)cc(OC(=O)C(=C)C)c1.
What is the InChIKey of [3-(2-methylprop-2-enoyloxy)-5-[(E)-2-phenylethenyl]phenyl] 2-methylprop-2-enoate?
The InChIKey is OHHCCEFDKFWWJZ-ZHACJKMWSA-N. The full InChI is InChI=1S/C22H20O4/c1-15(2)21(23)25-19-12-18(11-10-17-8-6-5-7-9-17)13-20(14-19)26-22(24)16(3)4/h5-14H,1,3H2,2,4H3/b11-10+.
What are the key properties of [3-(2-methylprop-2-enoyloxy)-5-[(E)-2-phenylethenyl]phenyl] 2-methylprop-2-enoate?
[3-(2-methylprop-2-enoyloxy)-5-[(E)-2-phenylethenyl]phenyl] 2-methylprop-2-enoate has a molecular weight of 348.40 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylprop-2-enoyloxy)-5-[(E)-2-phenylethenyl]phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 155004792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).