[4-[2-[5-[4-(2-methylprop-2-enoyloxy)phenyl]furan-2-yl]ethenyl]phenyl] 2-methylprop-2-enoate

C26H22O5 — CID 123286477

IUPAC[4-[2-[5-[4-(2-methylprop-2-enoyloxy)phenyl]furan-2-yl]ethenyl]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(C=Cc2ccc(-c3ccc(OC(=O)C(=C)C)cc3)o2)cc1
InChIInChI=1S/C26H22O5/c1-17(2)25(27)30-22-11-6-19(7-12-22)5-10-21-15-16-24(29-21)20-8-13-23(14-9-20)31-26(28)18(3)4/h5-16H,1,3H2,2,4H3
InChIKeyVGIOBXVNDMHSLF-UHFFFAOYSA-N
MW414.46 g/mol
LogP6.08
Rot. Bonds7

About [4-[2-[5-[4-(2-methylprop-2-enoyloxy)phenyl]furan-2-yl]ethenyl]phenyl] 2-methylprop-2-enoate

[4-[2-[5-[4-(2-methylprop-2-enoyloxy)phenyl]furan-2-yl]ethenyl]phenyl] 2-methylprop-2-enoate (PubChem CID 123286477) has the molecular formula C26H22O5 and a molecular weight of 414.46 g/mol. Its IUPAC name is [4-[2-[5-[4-(2-methylprop-2-enoyloxy)phenyl]furan-2-yl]ethenyl]phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-[2-[5-[4-(2-methylprop-2-enoyloxy)phenyl]furan-2-yl]ethenyl]phenyl] 2-methylprop-2-enoate
PubChem CID123286477
Molecular FormulaC26H22O5
Molecular Weight414.46 g/mol
Exact Mass414.15
IUPAC Name[4-[2-[5-[4-(2-methylprop-2-enoyloxy)phenyl]furan-2-yl]ethenyl]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(C=Cc2ccc(-c3ccc(OC(=O)C(=C)C)cc3)o2)cc1
InChIInChI=1S/C26H22O5/c1-17(2)25(27)30-22-11-6-19(7-12-22)5-10-21-15-16-24(29-21)20-8-13-23(14-9-20)31-26(28)18(3)4/h5-16H,1,3H2,2,4H3
InChIKeyVGIOBXVNDMHSLF-UHFFFAOYSA-N
XLogP6.08
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.46
LogP ≤ 56.08
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 [4-[2-[5-[4-(2-methylprop-2-enoyloxy)phenyl]furan-2-yl]ethenyl]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-[5-[4-prop-2-enoyloxy-3-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 123785616
[4-(2-phenylethenyl)phenyl] 2-methylprop-2-enoate
CID 54432121
[4-(4-ethenylphenyl)phenyl] 2-methylprop-2-enoate
CID 90249392
[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenoxy]-3-oxoprop-1-enyl]phenyl] 2-methylprop-2-enoate
CID 118657767
[4-[4-[2-(3-methylbuta-1,3-dien-2-yloxy)ethenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 123740075
[4-[2-[4-[2-[2-fluoro-4-[2-[4-(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 123579175
[4-[(E)-2-[5-methyl-2-(2-methylprop-2-enoyloxy)-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 118975635
[4-(4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate
CID 89212422
[4-[4-(4-prop-2-enoyloxyphenyl)phenyl]phenyl] 2-methylprop-2-enoate
CID 118680413
2-[4-[5-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]furan-2-yl]phenoxy]ethenyl 2-methylprop-2-enoate
CID 123543488
[4-[(E)-2-[2,5-bis(2-methylprop-2-enoxy)-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 118907437
[4-[(E)-3-(4-aminophenyl)prop-2-enoyl]oxyphenyl] 2-methylprop-2-enoate
CID 58870921

Frequently Asked Questions

What is the IUPAC name of [4-[2-[5-[4-(2-methylprop-2-enoyloxy)phenyl]furan-2-yl]ethenyl]phenyl] 2-methylprop-2-enoate?
The IUPAC name of [4-[2-[5-[4-(2-methylprop-2-enoyloxy)phenyl]furan-2-yl]ethenyl]phenyl] 2-methylprop-2-enoate (CID 123286477) is [4-[2-[5-[4-(2-methylprop-2-enoyloxy)phenyl]furan-2-yl]ethenyl]phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-[2-[5-[4-(2-methylprop-2-enoyloxy)phenyl]furan-2-yl]ethenyl]phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-[2-[5-[4-(2-methylprop-2-enoyloxy)phenyl]furan-2-yl]ethenyl]phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(C=Cc2ccc(-c3ccc(OC(=O)C(=C)C)cc3)o2)cc1.
What is the InChIKey of [4-[2-[5-[4-(2-methylprop-2-enoyloxy)phenyl]furan-2-yl]ethenyl]phenyl] 2-methylprop-2-enoate?
The InChIKey is VGIOBXVNDMHSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O5/c1-17(2)25(27)30-22-11-6-19(7-12-22)5-10-21-15-16-24(29-21)20-8-13-23(14-9-20)31-26(28)18(3)4/h5-16H,1,3H2,2,4H3.
What are the key properties of [4-[2-[5-[4-(2-methylprop-2-enoyloxy)phenyl]furan-2-yl]ethenyl]phenyl] 2-methylprop-2-enoate?
[4-[2-[5-[4-(2-methylprop-2-enoyloxy)phenyl]furan-2-yl]ethenyl]phenyl] 2-methylprop-2-enoate has a molecular weight of 414.46 g/mol, XLogP of 6.08, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[5-[4-(2-methylprop-2-enoyloxy)phenyl]furan-2-yl]ethenyl]phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 123286477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).