[4-[2-[5-[4-prop-2-enoyloxy-3-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]phenyl] 2-methylprop-2-enoate

C26H19F3O5 — CID 123785616

IUPAC[4-[2-[5-[4-prop-2-enoyloxy-3-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]phenyl] 2-methylprop-2-enoate
SMILESC=CC(=O)Oc1ccc(-c2ccc(C=Cc3ccc(OC(=O)C(=C)C)cc3)o2)cc1C(F)(F)F
InChIInChI=1S/C26H19F3O5/c1-4-24(30)34-23-13-8-18(15-21(23)26(27,28)29)22-14-12-19(32-22)9-5-17-6-10-20(11-7-17)33-25(31)16(2)3/h4-15H,1-2H2,3H3
InChIKeyMSUOFEQUURZHHO-UHFFFAOYSA-N
MW468.43 g/mol
LogP6.71
Rot. Bonds7

About [4-[2-[5-[4-prop-2-enoyloxy-3-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]phenyl] 2-methylprop-2-enoate

[4-[2-[5-[4-prop-2-enoyloxy-3-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]phenyl] 2-methylprop-2-enoate (PubChem CID 123785616) has the molecular formula C26H19F3O5 and a molecular weight of 468.43 g/mol. Its IUPAC name is [4-[2-[5-[4-prop-2-enoyloxy-3-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-[2-[5-[4-prop-2-enoyloxy-3-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]phenyl] 2-methylprop-2-enoate
PubChem CID123785616
Molecular FormulaC26H19F3O5
Molecular Weight468.43 g/mol
Exact Mass468.12
IUPAC Name[4-[2-[5-[4-prop-2-enoyloxy-3-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]phenyl] 2-methylprop-2-enoate
SMILESC=CC(=O)Oc1ccc(-c2ccc(C=Cc3ccc(OC(=O)C(=C)C)cc3)o2)cc1C(F)(F)F
InChIInChI=1S/C26H19F3O5/c1-4-24(30)34-23-13-8-18(15-21(23)26(27,28)29)22-14-12-19(32-22)9-5-17-6-10-20(11-7-17)33-25(31)16(2)3/h4-15H,1-2H2,3H3
InChIKeyMSUOFEQUURZHHO-UHFFFAOYSA-N
XLogP6.71
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.43
LogP ≤ 56.71
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'}

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Related Compounds

[4-[2-[5-[4-(2-methylprop-2-enoyloxy)phenyl]furan-2-yl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 123286477
[4-[2-[4-[2-(4-prop-2-enoyloxyphenyl)ethenyl]-3-(trifluoromethyl)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 123246241
[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
[4-methoxy-5-[4-(2-methylprop-2-enoyloxy)phenyl]-2-[4-[4-(2-methylprop-2-enoyloxy)-3-(trifluoromethyl)phenyl]phenyl]phenyl] (E)-but-2-enoate
CID 144737067
[4-[2-[5-(2-methylprop-2-enoyloxy)-4-(4-prop-2-enoyloxyphenyl)-2-(trifluoromethyl)phenyl]ethynyl]phenyl] 2-methylprop-2-enoate
CID 118606005
[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]-3-prop-2-enoyloxyphenyl]phenyl] 2-methylprop-2-enoate
CID 118975493
[4-[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]-2-prop-2-enoyloxyphenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 118975632
[4-[2-[4-[2-[3-(2-methylprop-2-enoyloxy)phenyl]ethenyl]-3-(trifluoromethyl)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 123826970
[2-fluoro-4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate
CID 122660275
[4-[4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;[4-[4-[2-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]-3,5-bis(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;[4-[4-[2-methyl-4-(2-methylprop-2-enoyloxy)phenyl]-3,5-bis(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;[3-(2-methylprop-2-enoyloxy)-2,5-bis(4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate;[4-[4-[4-(2-methylprop-2-enoyloxy)-2-prop-2-enoyloxyphenyl]-2-prop-2-enoyloxyphenyl]phenyl] 2-methylprop-2-enoate;[4-(2-methylprop-2-enoyloxy)-5-prop-2-enoyloxy-2-[3-prop-2-enoyloxy-4-[4-prop-2-enoyloxy-3-(trifluoromethyl)phenyl]phenyl]phenyl] 2-methylprop-2-enoate;[4-[2-(2-methylprop-2-enoyloxy)-4-[2,4,5-tris(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate;[4-[2-prop-2-enoyloxy-4-[2,4,5-tris(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 161114631
[4-(2-fluoro-4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate
CID 122660267

Frequently Asked Questions

What is the IUPAC name of [4-[2-[5-[4-prop-2-enoyloxy-3-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]phenyl] 2-methylprop-2-enoate?
The IUPAC name of [4-[2-[5-[4-prop-2-enoyloxy-3-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]phenyl] 2-methylprop-2-enoate (CID 123785616) is [4-[2-[5-[4-prop-2-enoyloxy-3-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-[2-[5-[4-prop-2-enoyloxy-3-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-[2-[5-[4-prop-2-enoyloxy-3-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]phenyl] 2-methylprop-2-enoate is C=CC(=O)Oc1ccc(-c2ccc(C=Cc3ccc(OC(=O)C(=C)C)cc3)o2)cc1C(F)(F)F.
What is the InChIKey of [4-[2-[5-[4-prop-2-enoyloxy-3-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]phenyl] 2-methylprop-2-enoate?
The InChIKey is MSUOFEQUURZHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3O5/c1-4-24(30)34-23-13-8-18(15-21(23)26(27,28)29)22-14-12-19(32-22)9-5-17-6-10-20(11-7-17)33-25(31)16(2)3/h4-15H,1-2H2,3H3.
What are the key properties of [4-[2-[5-[4-prop-2-enoyloxy-3-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]phenyl] 2-methylprop-2-enoate?
[4-[2-[5-[4-prop-2-enoyloxy-3-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]phenyl] 2-methylprop-2-enoate has a molecular weight of 468.43 g/mol, XLogP of 6.71, 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-prop-2-enoyloxy-3-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 123785616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).