methyl 3-methoxy-2-[2-[2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]phenyl]prop-2-enoate

C24H19F3O4 — CID 54360973

IUPACmethyl 3-methoxy-2-[2-[2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]phenyl]prop-2-enoate
SMILESCOC=C(C(=O)OC)c1ccccc1C=Cc1ccc(-c2ccccc2C(F)(F)F)o1
InChIInChI=1S/C24H19F3O4/c1-29-15-20(23(28)30-2)18-8-4-3-7-16(18)11-12-17-13-14-22(31-17)19-9-5-6-10-21(19)24(25,26)27/h3-15H,1-2H3
InChIKeyUMLUDKYXYVDMKZ-UHFFFAOYSA-N
MW428.41 g/mol
LogP6.30
Rot. Bonds6

About methyl 3-methoxy-2-[2-[2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]phenyl]prop-2-enoate

methyl 3-methoxy-2-[2-[2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]phenyl]prop-2-enoate (PubChem CID 54360973) has the molecular formula C24H19F3O4 and a molecular weight of 428.41 g/mol. Its IUPAC name is methyl 3-methoxy-2-[2-[2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]phenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-methoxy-2-[2-[2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]phenyl]prop-2-enoate
PubChem CID54360973
Molecular FormulaC24H19F3O4
Molecular Weight428.41 g/mol
Exact Mass428.12
IUPAC Namemethyl 3-methoxy-2-[2-[2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]phenyl]prop-2-enoate
SMILESCOC=C(C(=O)OC)c1ccccc1C=Cc1ccc(-c2ccccc2C(F)(F)F)o1
InChIInChI=1S/C24H19F3O4/c1-29-15-20(23(28)30-2)18-8-4-3-7-16(18)11-12-17-13-14-22(31-17)19-9-5-6-10-21(19)24(25,26)27/h3-15H,1-2H3
InChIKeyUMLUDKYXYVDMKZ-UHFFFAOYSA-N
XLogP6.30
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.41
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl 3-methoxy-2-[2-[2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]phenyl]prop-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

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-2-[2-[2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]phenyl]prop-2-enoate?
The IUPAC name of methyl 3-methoxy-2-[2-[2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]phenyl]prop-2-enoate (CID 54360973) is methyl 3-methoxy-2-[2-[2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]phenyl]prop-2-enoate.
What is the SMILES notation for methyl 3-methoxy-2-[2-[2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]phenyl]prop-2-enoate?
The canonical SMILES for methyl 3-methoxy-2-[2-[2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]phenyl]prop-2-enoate is COC=C(C(=O)OC)c1ccccc1C=Cc1ccc(-c2ccccc2C(F)(F)F)o1.
What is the InChIKey of methyl 3-methoxy-2-[2-[2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]phenyl]prop-2-enoate?
The InChIKey is UMLUDKYXYVDMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3O4/c1-29-15-20(23(28)30-2)18-8-4-3-7-16(18)11-12-17-13-14-22(31-17)19-9-5-6-10-21(19)24(25,26)27/h3-15H,1-2H3.
What are the key properties of methyl 3-methoxy-2-[2-[2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]phenyl]prop-2-enoate?
methyl 3-methoxy-2-[2-[2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]phenyl]prop-2-enoate has a molecular weight of 428.41 g/mol, XLogP of 6.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-2-[2-[2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]phenyl]prop-2-enoate is sourced from PubChem (CID 54360973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).