2-[4-(3-fluoro-4-prop-2-enoyloxyphenyl)-2-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate

C25H23FO8 — CID 90146916

IUPAC2-[4-(3-fluoro-4-prop-2-enoyloxyphenyl)-2-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1ccc(-c2ccc(OC(=O)C=C)c(F)c2)cc1OCCOC(=O)C=C
InChIInChI=1S/C25H23FO8/c1-4-23(27)32-13-11-30-21-10-8-18(16-22(21)31-12-14-33-24(28)5-2)17-7-9-20(19(26)15-17)34-25(29)6-3/h4-10,15-16H,1-3,11-14H2
InChIKeyJYMDMTYQUOFOOG-UHFFFAOYSA-N
MW470.45 g/mol
LogP3.80
Rot. Bonds13

About 2-[4-(3-fluoro-4-prop-2-enoyloxyphenyl)-2-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate

2-[4-(3-fluoro-4-prop-2-enoyloxyphenyl)-2-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate (PubChem CID 90146916) has the molecular formula C25H23FO8 and a molecular weight of 470.45 g/mol. Its IUPAC name is 2-[4-(3-fluoro-4-prop-2-enoyloxyphenyl)-2-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[4-(3-fluoro-4-prop-2-enoyloxyphenyl)-2-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate
PubChem CID90146916
Molecular FormulaC25H23FO8
Molecular Weight470.45 g/mol
Exact Mass470.14
IUPAC Name2-[4-(3-fluoro-4-prop-2-enoyloxyphenyl)-2-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1ccc(-c2ccc(OC(=O)C=C)c(F)c2)cc1OCCOC(=O)C=C
InChIInChI=1S/C25H23FO8/c1-4-23(27)32-13-11-30-21-10-8-18(16-22(21)31-12-14-33-24(28)5-2)17-7-9-20(19(26)15-17)34-25(29)6-3/h4-10,15-16H,1-3,11-14H2
InChIKeyJYMDMTYQUOFOOG-UHFFFAOYSA-N
XLogP3.80
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.45
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
CID 67892187
[2-fluoro-4-[3-fluoro-4-(2-prop-2-enoyloxyethyl)phenyl]phenyl] 2-methylprop-2-enoate
CID 122660269
[2-fluoro-4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate
CID 122660275
[2-fluoro-4-(3-fluorophenyl)phenyl] prop-2-enoate
CID 135190575
2-[2-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl prop-2-enoate
CID 122660279
2-[2-[2-[2-phenyl-4-[3-phenyl-4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]phenoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 139696115
2-[5-(2-fluoro-4-phenylphenyl)-2-(hydroxymethyl)phenoxy]ethyl prop-2-enoate
CID 134200809
2-[2-(2-hydroxyethoxy)phenoxy]ethyl prop-2-enoate
CID 147852586
[2-fluoro-4-(2-fluoro-4-hydroxyphenyl)phenyl] prop-2-enoate
CID 121333283
[4-(3-fluoro-4-methoxyphenyl)phenyl] prop-2-enoate
CID 126551737
[4-[4-(3-fluoro-4-methoxyphenyl)phenyl]phenyl] prop-2-enoate
CID 135163056
(4-bromo-2-fluorophenyl) prop-2-enoate
CID 174643250

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluoro-4-prop-2-enoyloxyphenyl)-2-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[4-(3-fluoro-4-prop-2-enoyloxyphenyl)-2-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate (CID 90146916) is 2-[4-(3-fluoro-4-prop-2-enoyloxyphenyl)-2-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[4-(3-fluoro-4-prop-2-enoyloxyphenyl)-2-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[4-(3-fluoro-4-prop-2-enoyloxyphenyl)-2-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate is C=CC(=O)OCCOc1ccc(-c2ccc(OC(=O)C=C)c(F)c2)cc1OCCOC(=O)C=C.
What is the InChIKey of 2-[4-(3-fluoro-4-prop-2-enoyloxyphenyl)-2-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate?
The InChIKey is JYMDMTYQUOFOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FO8/c1-4-23(27)32-13-11-30-21-10-8-18(16-22(21)31-12-14-33-24(28)5-2)17-7-9-20(19(26)15-17)34-25(29)6-3/h4-10,15-16H,1-3,11-14H2.
What are the key properties of 2-[4-(3-fluoro-4-prop-2-enoyloxyphenyl)-2-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate?
2-[4-(3-fluoro-4-prop-2-enoyloxyphenyl)-2-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate has a molecular weight of 470.45 g/mol, XLogP of 3.80, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluoro-4-prop-2-enoyloxyphenyl)-2-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate is sourced from PubChem (CID 90146916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).