[4-[4-methoxy-7-prop-2-enoyloxy-6-(trifluoromethyl)dibenzofuran-3-yl]phenyl] prop-2-enoate

C26H17F3O6 — CID 170035434

IUPAC[4-[4-methoxy-7-prop-2-enoyloxy-6-(trifluoromethyl)dibenzofuran-3-yl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(-c2ccc3c(oc4c(C(F)(F)F)c(OC(=O)C=C)ccc43)c2OC)cc1
InChIInChI=1S/C26H17F3O6/c1-4-20(30)33-15-8-6-14(7-9-15)16-10-11-18-17-12-13-19(34-21(31)5-2)22(26(27,28)29)23(17)35-25(18)24(16)32-3/h4-13H,1-2H2,3H3
InChIKeyOCKRHLRSTOVSGE-UHFFFAOYSA-N
MW482.41 g/mol
LogP6.46
Rot. Bonds6

About [4-[4-methoxy-7-prop-2-enoyloxy-6-(trifluoromethyl)dibenzofuran-3-yl]phenyl] prop-2-enoate

[4-[4-methoxy-7-prop-2-enoyloxy-6-(trifluoromethyl)dibenzofuran-3-yl]phenyl] prop-2-enoate (PubChem CID 170035434) has the molecular formula C26H17F3O6 and a molecular weight of 482.41 g/mol. Its IUPAC name is [4-[4-methoxy-7-prop-2-enoyloxy-6-(trifluoromethyl)dibenzofuran-3-yl]phenyl] prop-2-enoate.

Molecular Properties

Compound Name[4-[4-methoxy-7-prop-2-enoyloxy-6-(trifluoromethyl)dibenzofuran-3-yl]phenyl] prop-2-enoate
PubChem CID170035434
Molecular FormulaC26H17F3O6
Molecular Weight482.41 g/mol
Exact Mass482.10
IUPAC Name[4-[4-methoxy-7-prop-2-enoyloxy-6-(trifluoromethyl)dibenzofuran-3-yl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(-c2ccc3c(oc4c(C(F)(F)F)c(OC(=O)C=C)ccc43)c2OC)cc1
InChIInChI=1S/C26H17F3O6/c1-4-20(30)33-15-8-6-14(7-9-15)16-10-11-18-17-12-13-19(34-21(31)5-2)22(26(27,28)29)23(17)35-25(18)24(16)32-3/h4-13H,1-2H2,3H3
InChIKeyOCKRHLRSTOVSGE-UHFFFAOYSA-N
XLogP6.46
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.41
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-[4-methoxy-7-prop-2-enoyloxy-6-(trifluoromethyl)dibenzofuran-3-yl]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

Related Compounds

[4-(4,6-dimethyl-7-prop-2-enoyloxydibenzofuran-3-yl)phenyl] prop-2-enoate
CID 170034889
3-[4-[6-fluoro-7-prop-2-enoyloxy-4-(trifluoromethyl)dibenzofuran-3-yl]phenyl]propyl prop-2-enoate
CID 170034770
3-[4-fluoro-7-prop-2-enoyloxy-6-(trifluoromethyl)dibenzofuran-3-yl]propyl prop-2-enoate
CID 170034174
[4-[4-methoxy-7-(2-methylprop-2-enoyloxy)-6-(trifluoromethyl)dibenzothiophen-3-yl]phenyl] 2-methylprop-2-enoate
CID 170022636
[4-(6-fluoro-4-methyl-7-prop-2-enoyloxydibenzothiophen-3-yl)phenyl] prop-2-enoate
CID 170021957
[4-(3-fluoro-4-methoxyphenyl)phenyl] prop-2-enoate
CID 126551737
[4-[4-(3-fluoro-4-methoxyphenyl)phenyl]phenyl] prop-2-enoate
CID 135163056
ethane;[4-[3-methoxy-4-(4-prop-2-enoyloxyphenyl)phenyl]phenyl] prop-2-enoate;prop-2-enal
CID 144772034
[4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
CID 67892187
2-[4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)phenoxy]ethenyl prop-2-enoate
CID 123643106
2-[4-(4-prop-2-enoyloxyphenyl)-3-(trifluoromethyl)phenoxy]ethenyl 2-methylprop-2-enoate
CID 123994431
3-[4-[6-fluoro-4-methoxy-7-(2-methylprop-2-enoyloxy)dibenzofuran-3-yl]phenyl]propyl 2-methylprop-2-enoate
CID 170034716

Frequently Asked Questions

What is the IUPAC name of [4-[4-methoxy-7-prop-2-enoyloxy-6-(trifluoromethyl)dibenzofuran-3-yl]phenyl] prop-2-enoate?
The IUPAC name of [4-[4-methoxy-7-prop-2-enoyloxy-6-(trifluoromethyl)dibenzofuran-3-yl]phenyl] prop-2-enoate (CID 170035434) is [4-[4-methoxy-7-prop-2-enoyloxy-6-(trifluoromethyl)dibenzofuran-3-yl]phenyl] prop-2-enoate.
What is the SMILES notation for [4-[4-methoxy-7-prop-2-enoyloxy-6-(trifluoromethyl)dibenzofuran-3-yl]phenyl] prop-2-enoate?
The canonical SMILES for [4-[4-methoxy-7-prop-2-enoyloxy-6-(trifluoromethyl)dibenzofuran-3-yl]phenyl] prop-2-enoate is C=CC(=O)Oc1ccc(-c2ccc3c(oc4c(C(F)(F)F)c(OC(=O)C=C)ccc43)c2OC)cc1.
What is the InChIKey of [4-[4-methoxy-7-prop-2-enoyloxy-6-(trifluoromethyl)dibenzofuran-3-yl]phenyl] prop-2-enoate?
The InChIKey is OCKRHLRSTOVSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F3O6/c1-4-20(30)33-15-8-6-14(7-9-15)16-10-11-18-17-12-13-19(34-21(31)5-2)22(26(27,28)29)23(17)35-25(18)24(16)32-3/h4-13H,1-2H2,3H3.
What are the key properties of [4-[4-methoxy-7-prop-2-enoyloxy-6-(trifluoromethyl)dibenzofuran-3-yl]phenyl] prop-2-enoate?
[4-[4-methoxy-7-prop-2-enoyloxy-6-(trifluoromethyl)dibenzofuran-3-yl]phenyl] prop-2-enoate has a molecular weight of 482.41 g/mol, XLogP of 6.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-methoxy-7-prop-2-enoyloxy-6-(trifluoromethyl)dibenzofuran-3-yl]phenyl] prop-2-enoate is sourced from PubChem (CID 170035434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).