2-[4-[2-fluoro-4-(2-prop-2-enoyloxyethenoxy)phenyl]phenoxy]ethenyl prop-2-enoate

C22H17FO6 — CID 123899301

IUPAC2-[4-[2-fluoro-4-(2-prop-2-enoyloxyethenoxy)phenyl]phenoxy]ethenyl prop-2-enoate
SMILESC=CC(=O)OC=COc1ccc(-c2ccc(OC=COC(=O)C=C)cc2F)cc1
InChIInChI=1S/C22H17FO6/c1-3-21(24)28-13-11-26-17-7-5-16(6-8-17)19-10-9-18(15-20(19)23)27-12-14-29-22(25)4-2/h3-15H,1-2H2
InChIKeyMFYQTMSLYWUBNW-UHFFFAOYSA-N
MW396.37 g/mol
LogP4.65
Rot. Bonds9

About 2-[4-[2-fluoro-4-(2-prop-2-enoyloxyethenoxy)phenyl]phenoxy]ethenyl prop-2-enoate

2-[4-[2-fluoro-4-(2-prop-2-enoyloxyethenoxy)phenyl]phenoxy]ethenyl prop-2-enoate (PubChem CID 123899301) has the molecular formula C22H17FO6 and a molecular weight of 396.37 g/mol. Its IUPAC name is 2-[4-[2-fluoro-4-(2-prop-2-enoyloxyethenoxy)phenyl]phenoxy]ethenyl prop-2-enoate.

Molecular Properties

Compound Name2-[4-[2-fluoro-4-(2-prop-2-enoyloxyethenoxy)phenyl]phenoxy]ethenyl prop-2-enoate
PubChem CID123899301
Molecular FormulaC22H17FO6
Molecular Weight396.37 g/mol
Exact Mass396.10
IUPAC Name2-[4-[2-fluoro-4-(2-prop-2-enoyloxyethenoxy)phenyl]phenoxy]ethenyl prop-2-enoate
SMILESC=CC(=O)OC=COc1ccc(-c2ccc(OC=COC(=O)C=C)cc2F)cc1
InChIInChI=1S/C22H17FO6/c1-3-21(24)28-13-11-26-17-7-5-16(6-8-17)19-10-9-18(15-20(19)23)27-12-14-29-22(25)4-2/h3-15H,1-2H2
InChIKeyMFYQTMSLYWUBNW-UHFFFAOYSA-N
XLogP4.65
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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-[2-fluoro-4-(2-prop-2-enoyloxyethenoxy)phenyl]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate
CID 123969143
2-[3-fluoro-4-[4-[3-fluoro-4-(2-prop-2-enoyloxyethenoxy)phenyl]phenyl]phenoxy]ethenyl prop-2-enoate
CID 123254535
2-[2-fluoro-4-[4-[2-fluoro-4-(2-prop-2-enoyloxyethenoxy)phenyl]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate
CID 123353199
[(Z)-2-[4-[3-amino-4-[4-[(Z)-2-prop-2-enoyloxyethenoxy]phenyl]phenyl]phenoxy]ethenyl] prop-2-enoate
CID 163422530
2-[4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)phenoxy]ethenyl prop-2-enoate
CID 123643106
2-[4-[4-(4-prop-2-enoyloxyphenyl)phenyl]phenoxy]ethenyl prop-2-enoate
CID 123925942
[4-[3-fluoro-4-(4-formyloxyphenyl)phenyl]phenyl] prop-2-enoate
CID 129143052
2-[4-[2-[3-fluoro-4-[2-[4-(2-prop-2-enoyloxyethenoxy)phenyl]ethenyl]phenyl]ethenyl]phenoxy]ethenyl prop-2-enoate
CID 123642028
[4-(2-fluoro-4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate
CID 122660267
2-[4-[2-[3-fluoro-4-[2-[3-(2-prop-2-enoyloxyethenoxy)phenyl]ethenyl]phenyl]ethenyl]phenoxy]ethenyl prop-2-enoate
CID 123199752
[4-[4-(2-fluoro-4-prop-2-enoyloxyphenyl)phenyl]phenyl] 2-methylprop-2-enoate
CID 147470296

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-fluoro-4-(2-prop-2-enoyloxyethenoxy)phenyl]phenoxy]ethenyl prop-2-enoate?
The IUPAC name of 2-[4-[2-fluoro-4-(2-prop-2-enoyloxyethenoxy)phenyl]phenoxy]ethenyl prop-2-enoate (CID 123899301) is 2-[4-[2-fluoro-4-(2-prop-2-enoyloxyethenoxy)phenyl]phenoxy]ethenyl prop-2-enoate.
What is the SMILES notation for 2-[4-[2-fluoro-4-(2-prop-2-enoyloxyethenoxy)phenyl]phenoxy]ethenyl prop-2-enoate?
The canonical SMILES for 2-[4-[2-fluoro-4-(2-prop-2-enoyloxyethenoxy)phenyl]phenoxy]ethenyl prop-2-enoate is C=CC(=O)OC=COc1ccc(-c2ccc(OC=COC(=O)C=C)cc2F)cc1.
What is the InChIKey of 2-[4-[2-fluoro-4-(2-prop-2-enoyloxyethenoxy)phenyl]phenoxy]ethenyl prop-2-enoate?
The InChIKey is MFYQTMSLYWUBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FO6/c1-3-21(24)28-13-11-26-17-7-5-16(6-8-17)19-10-9-18(15-20(19)23)27-12-14-29-22(25)4-2/h3-15H,1-2H2.
What are the key properties of 2-[4-[2-fluoro-4-(2-prop-2-enoyloxyethenoxy)phenyl]phenoxy]ethenyl prop-2-enoate?
2-[4-[2-fluoro-4-(2-prop-2-enoyloxyethenoxy)phenyl]phenoxy]ethenyl prop-2-enoate has a molecular weight of 396.37 g/mol, XLogP of 4.65, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-fluoro-4-(2-prop-2-enoyloxyethenoxy)phenyl]phenoxy]ethenyl prop-2-enoate is sourced from PubChem (CID 123899301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).