2-[4-(2-methylprop-2-enoyloxy)-3-(trifluoromethyl)phenoxy]ethenyl 2-methylprop-2-enoate

C17H15F3O5 — CID 123803428

IUPAC2-[4-(2-methylprop-2-enoyloxy)-3-(trifluoromethyl)phenoxy]ethenyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC=COc1ccc(OC(=O)C(=C)C)c(C(F)(F)F)c1
InChIInChI=1S/C17H15F3O5/c1-10(2)15(21)24-8-7-23-12-5-6-14(25-16(22)11(3)4)13(9-12)17(18,19)20/h5-9H,1,3H2,2,4H3
InChIKeyMHCRKJCKASRLHY-UHFFFAOYSA-N
MW356.30 g/mol
LogP4.16
Rot. Bonds6

About 2-[4-(2-methylprop-2-enoyloxy)-3-(trifluoromethyl)phenoxy]ethenyl 2-methylprop-2-enoate

2-[4-(2-methylprop-2-enoyloxy)-3-(trifluoromethyl)phenoxy]ethenyl 2-methylprop-2-enoate (PubChem CID 123803428) has the molecular formula C17H15F3O5 and a molecular weight of 356.30 g/mol. Its IUPAC name is 2-[4-(2-methylprop-2-enoyloxy)-3-(trifluoromethyl)phenoxy]ethenyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[4-(2-methylprop-2-enoyloxy)-3-(trifluoromethyl)phenoxy]ethenyl 2-methylprop-2-enoate
PubChem CID123803428
Molecular FormulaC17H15F3O5
Molecular Weight356.30 g/mol
Exact Mass356.09
IUPAC Name2-[4-(2-methylprop-2-enoyloxy)-3-(trifluoromethyl)phenoxy]ethenyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC=COc1ccc(OC(=O)C(=C)C)c(C(F)(F)F)c1
InChIInChI=1S/C17H15F3O5/c1-10(2)15(21)24-8-7-23-12-5-6-14(25-16(22)11(3)4)13(9-12)17(18,19)20/h5-9H,1,3H2,2,4H3
InChIKeyMHCRKJCKASRLHY-UHFFFAOYSA-N
XLogP4.16
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-prop-2-enoyloxyphenyl)-3-(trifluoromethyl)phenoxy]ethenyl 2-methylprop-2-enoate
CID 123994431
[(Z)-2-(2,3-difluoro-4-prop-2-enoyloxyphenoxy)ethenyl] 2-methylprop-2-enoate;[(Z)-2-(2,3-difluoro-4-prop-2-enoyloxyphenoxy)ethenyl] prop-2-enoate;[(Z)-2-(2-fluoro-4-prop-2-enoyloxyphenoxy)ethenyl] 2-methylprop-2-enoate;[(Z)-2-(3-fluoro-4-prop-2-enoyloxyphenoxy)ethenyl] 2-methylprop-2-enoate;[(Z)-2-(2-fluoro-4-prop-2-enoyloxyphenoxy)ethenyl] prop-2-enoate;[(Z)-2-(3-fluoro-4-prop-2-enoyloxyphenoxy)ethenyl] prop-2-enoate;[(Z)-2-(2-methyl-4-prop-2-enoyloxyphenoxy)ethenyl] 2-methylprop-2-enoate;[(Z)-2-(2-methyl-4-prop-2-enoyloxyphenoxy)ethenyl] prop-2-enoate;[(Z)-2-(4-prop-2-enoyloxyphenoxy)ethenyl] 2-methylprop-2-enoate;[(Z)-2-(4-prop-2-enoyloxyphenoxy)ethenyl] prop-2-enoate;[(Z)-2-[4-prop-2-enoyloxy-3-(trifluoromethyl)phenoxy]ethenyl] 2-methylprop-2-enoate;[(Z)-2-[4-prop-2-enoyloxy-3-(trifluoromethyl)phenoxy]ethenyl] prop-2-enoate
CID 161217292
2-[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate
CID 123993816
2-[2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]ethenyl 2-methylprop-2-enoate
CID 123687311
2-[4-[4-[3-fluoro-4-[2-(2-methylprop-2-enoyloxy)ethenoxy]phenyl]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate
CID 123553742
2-[3-[3,5-bis[2-(2-methylprop-2-enoyloxy)ethenoxy]phenyl]-5-[2-(2-methylprop-2-enoyloxy)ethenoxy]phenoxy]ethenyl 2-methylprop-2-enoate
CID 123774805
2-[4-[3-(difluoromethyl)-4-[2-(2-methylprop-2-enoyloxy)ethenoxy]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate
CID 123619500
2-[4-[2-methyl-4-[2-(2-methylprop-2-enoyloxy)ethenoxy]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate
CID 123402652
2-[6-(4-prop-2-enoyloxyphenyl)naphthalen-2-yl]oxyethenyl 2-methylprop-2-enoate
CID 123781400
2-[4-[5-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]furan-2-yl]phenoxy]ethenyl 2-methylprop-2-enoate
CID 123543488
[(Z)-2-[2-(2-methylprop-2-enoyloxy)-4-[7-(2-methylprop-2-enoyloxy)-6-[(Z)-2-(2-methylprop-2-enoyloxy)ethenoxy]naphthalen-2-yl]phenoxy]ethenyl] 2-methylpropanoate
CID 163750440
2-[2-fluoro-4-[4-[2-fluoro-4-(2-prop-2-enoyloxyethenoxy)phenyl]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate
CID 123353199

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylprop-2-enoyloxy)-3-(trifluoromethyl)phenoxy]ethenyl 2-methylprop-2-enoate?
The IUPAC name of 2-[4-(2-methylprop-2-enoyloxy)-3-(trifluoromethyl)phenoxy]ethenyl 2-methylprop-2-enoate (CID 123803428) is 2-[4-(2-methylprop-2-enoyloxy)-3-(trifluoromethyl)phenoxy]ethenyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[4-(2-methylprop-2-enoyloxy)-3-(trifluoromethyl)phenoxy]ethenyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[4-(2-methylprop-2-enoyloxy)-3-(trifluoromethyl)phenoxy]ethenyl 2-methylprop-2-enoate is C=C(C)C(=O)OC=COc1ccc(OC(=O)C(=C)C)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-(2-methylprop-2-enoyloxy)-3-(trifluoromethyl)phenoxy]ethenyl 2-methylprop-2-enoate?
The InChIKey is MHCRKJCKASRLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O5/c1-10(2)15(21)24-8-7-23-12-5-6-14(25-16(22)11(3)4)13(9-12)17(18,19)20/h5-9H,1,3H2,2,4H3.
What are the key properties of 2-[4-(2-methylprop-2-enoyloxy)-3-(trifluoromethyl)phenoxy]ethenyl 2-methylprop-2-enoate?
2-[4-(2-methylprop-2-enoyloxy)-3-(trifluoromethyl)phenoxy]ethenyl 2-methylprop-2-enoate has a molecular weight of 356.30 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylprop-2-enoyloxy)-3-(trifluoromethyl)phenoxy]ethenyl 2-methylprop-2-enoate is sourced from PubChem (CID 123803428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).