2-[4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)phenoxy]ethenyl prop-2-enoate

C20H14F2O5 — CID 123643106

IUPAC2-[4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)phenoxy]ethenyl prop-2-enoate
SMILESC=CC(=O)OC=COc1ccc(-c2ccc(OC(=O)C=C)c(F)c2F)cc1
InChIInChI=1S/C20H14F2O5/c1-3-17(23)26-12-11-25-14-7-5-13(6-8-14)15-9-10-16(20(22)19(15)21)27-18(24)4-2/h3-12H,1-2H2
InChIKeyOCXHLNQNDUFBIK-UHFFFAOYSA-N
MW372.32 g/mol
LogP4.30
Rot. Bonds7

About 2-[4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)phenoxy]ethenyl prop-2-enoate

2-[4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)phenoxy]ethenyl prop-2-enoate (PubChem CID 123643106) has the molecular formula C20H14F2O5 and a molecular weight of 372.32 g/mol. Its IUPAC name is 2-[4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)phenoxy]ethenyl prop-2-enoate.

Molecular Properties

Compound Name2-[4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)phenoxy]ethenyl prop-2-enoate
PubChem CID123643106
Molecular FormulaC20H14F2O5
Molecular Weight372.32 g/mol
Exact Mass372.08
IUPAC Name2-[4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)phenoxy]ethenyl prop-2-enoate
SMILESC=CC(=O)OC=COc1ccc(-c2ccc(OC(=O)C=C)c(F)c2F)cc1
InChIInChI=1S/C20H14F2O5/c1-3-17(23)26-12-11-25-14-7-5-13(6-8-14)15-9-10-16(20(22)19(15)21)27-18(24)4-2/h3-12H,1-2H2
InChIKeyOCXHLNQNDUFBIK-UHFFFAOYSA-N
XLogP4.30
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.32
LogP ≤ 54.30
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-(2-fluoro-4-prop-2-enoyloxyphenyl)phenyl]phenoxy]ethenyl prop-2-enoate
CID 123487127
2-[4-[4-(4-prop-2-enoyloxyphenyl)phenyl]phenoxy]ethenyl prop-2-enoate
CID 123925942
2-[4-[2-fluoro-4-(2-prop-2-enoyloxyethenoxy)phenyl]phenoxy]ethenyl prop-2-enoate
CID 123899301
2-[3-fluoro-4-[4-[3-fluoro-4-(2-prop-2-enoyloxyethenoxy)phenyl]phenyl]phenoxy]ethenyl prop-2-enoate
CID 123254535
[(Z)-2-[4-[3-amino-4-[4-[(Z)-2-prop-2-enoyloxyethenoxy]phenyl]phenyl]phenoxy]ethenyl] prop-2-enoate
CID 163422530
2-[4-[4-[2-fluoro-4-(2-prop-2-enoyloxyethenoxy)phenyl]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate
CID 123969143
[4-(6-fluoro-4-methyl-7-prop-2-enoyloxydibenzothiophen-3-yl)phenyl] prop-2-enoate
CID 170021957
[2,3-difluoro-4-(2-fluorophenyl)phenyl] prop-2-enoate
CID 138480747
[4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)-2,3-difluorophenyl]methyl prop-2-enoate
CID 146531862
2-[2-fluoro-4-[4-[2-fluoro-4-(2-prop-2-enoyloxyethenoxy)phenyl]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate
CID 123353199
2-[1,7,8-trifluoro-6-(2-prop-2-enoyloxyethenoxy)naphthalen-2-yl]oxyethenyl prop-2-enoate
CID 123829646
[2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl] prop-2-enoate
CID 146247306

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)phenoxy]ethenyl prop-2-enoate?
The IUPAC name of 2-[4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)phenoxy]ethenyl prop-2-enoate (CID 123643106) is 2-[4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)phenoxy]ethenyl prop-2-enoate.
What is the SMILES notation for 2-[4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)phenoxy]ethenyl prop-2-enoate?
The canonical SMILES for 2-[4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)phenoxy]ethenyl prop-2-enoate is C=CC(=O)OC=COc1ccc(-c2ccc(OC(=O)C=C)c(F)c2F)cc1.
What is the InChIKey of 2-[4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)phenoxy]ethenyl prop-2-enoate?
The InChIKey is OCXHLNQNDUFBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2O5/c1-3-17(23)26-12-11-25-14-7-5-13(6-8-14)15-9-10-16(20(22)19(15)21)27-18(24)4-2/h3-12H,1-2H2.
What are the key properties of 2-[4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)phenoxy]ethenyl prop-2-enoate?
2-[4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)phenoxy]ethenyl prop-2-enoate has a molecular weight of 372.32 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)phenoxy]ethenyl prop-2-enoate is sourced from PubChem (CID 123643106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).