[2-fluoro-4-(4-methoxyphenyl)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]propanoate

C28H23FO7 — CID 134467370

IUPAC[2-fluoro-4-(4-methoxyphenyl)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]propanoate
SMILESC=CC(=O)Oc1ccc(CCC(=O)Oc2ccc(-c3ccc(OC)cc3)cc2F)cc1OC(=O)C=C
InChIInChI=1S/C28H23FO7/c1-4-26(30)35-24-13-6-18(16-25(24)36-27(31)5-2)7-15-28(32)34-23-14-10-20(17-22(23)29)19-8-11-21(33-3)12-9-19/h4-6,8-14,16-17H,1-2,7,15H2,3H3
InChIKeyXGYVDWPTGQZMPO-UHFFFAOYSA-N
MW490.48 g/mol
LogP5.22
Rot. Bonds10

About [2-fluoro-4-(4-methoxyphenyl)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]propanoate

[2-fluoro-4-(4-methoxyphenyl)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]propanoate (PubChem CID 134467370) has the molecular formula C28H23FO7 and a molecular weight of 490.48 g/mol. Its IUPAC name is [2-fluoro-4-(4-methoxyphenyl)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]propanoate.

Molecular Properties

Compound Name[2-fluoro-4-(4-methoxyphenyl)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]propanoate
PubChem CID134467370
Molecular FormulaC28H23FO7
Molecular Weight490.48 g/mol
Exact Mass490.14
IUPAC Name[2-fluoro-4-(4-methoxyphenyl)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]propanoate
SMILESC=CC(=O)Oc1ccc(CCC(=O)Oc2ccc(-c3ccc(OC)cc3)cc2F)cc1OC(=O)C=C
InChIInChI=1S/C28H23FO7/c1-4-26(30)35-24-13-6-18(16-25(24)36-27(31)5-2)7-15-28(32)34-23-14-10-20(17-22(23)29)19-8-11-21(33-3)12-9-19/h4-6,8-14,16-17H,1-2,7,15H2,3H3
InChIKeyXGYVDWPTGQZMPO-UHFFFAOYSA-N
XLogP5.22
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.48
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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-[3-(3-methyl-4-prop-2-enoyloxyphenyl)propanoyloxy]phenyl]phenyl] 2-methylprop-2-enoate
CID 118458206
[4-[4-[3-[3,4-di(prop-2-enoyloxy)phenyl]propanoyloxy]phenyl]phenyl] 2-methylpropanoate
CID 146245833
[4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
CID 67892187
[4-[4-[3-[3-buta-1,3-dien-2-yloxy-4-(2-methylprop-2-enoyloxy)phenyl]propanoyloxy]-3-fluorophenyl]phenyl] 2-methylpropanoate
CID 126621373
[4-[3,4-di(prop-2-enoyloxy)benzoyl]oxyphenyl] 3,4-di(prop-2-enoyloxy)benzoate;[4-[4-[3-[3,4-di(prop-2-enoyloxy)phenyl]propanoyloxy]-3-fluorophenyl]phenyl] 2-methylprop-2-enoate;[4-[4-[3-[3,4-di(prop-2-enoyloxy)phenyl]propanoyloxy]-3-methoxyphenyl]phenyl] 2-methylprop-2-enoate;[4-[4-[3-[3,4-di(prop-2-enoyloxy)phenyl]propanoyloxy]-3-propanoyloxyphenyl]phenyl] 2-methylprop-2-enoate;[4-[3-[2-fluoro-4-(4-prop-2-enoyloxyphenyl)phenoxy]-3-oxopropyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[2-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]propanoate;2-(4-prop-2-enoyloxyphenyl)ethyl 4-[4-(2-methylprop-2-enoyloxy)phenyl]benzoate;[4-(4-prop-2-enoyloxyphenyl)phenyl] 4-prop-2-enoyloxybenzoate
CID 159521697
[4-(3-fluoro-4-methoxyphenyl)phenyl] prop-2-enoate
CID 126551737
[4-[4-(3-fluoro-4-methoxyphenyl)phenyl]phenyl] prop-2-enoate
CID 135163056
[2-prop-2-enoyloxy-4-[4-[3-(4-prop-2-enoyloxyphenyl)propanoyloxy]phenyl]phenyl] 2-methylprop-2-enoate
CID 118680428
[4-[4-[4-[3-[3,4-di(prop-2-enoyloxy)phenyl]propanoyloxy]phenyl]-2,3-difluorophenyl]phenyl] 2-methylprop-2-enoate
CID 126611178
[4-[2-fluoro-4-[4-[3-[4-(2-formylprop-2-enoxy)-3-prop-2-enoyloxyphenyl]propanoyloxy]phenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 129172169
[4-[3-fluoro-4-[3-fluoro-4-[(3Z)-2-methylocta-1,3-dien-3-yl]oxyphenyl]phenyl]phenyl] 3-[3-(1-cyclobutylideneprop-2-enoxy)-4-prop-2-enoyloxyphenyl]propanoate
CID 144959744
[4-[4-[2-[3,4-di(prop-2-enoyloxy)phenyl]ethoxymethyl]phenyl]phenyl] prop-2-enoate
CID 129065344

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-(4-methoxyphenyl)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]propanoate?
The IUPAC name of [2-fluoro-4-(4-methoxyphenyl)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]propanoate (CID 134467370) is [2-fluoro-4-(4-methoxyphenyl)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]propanoate.
What is the SMILES notation for [2-fluoro-4-(4-methoxyphenyl)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]propanoate?
The canonical SMILES for [2-fluoro-4-(4-methoxyphenyl)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]propanoate is C=CC(=O)Oc1ccc(CCC(=O)Oc2ccc(-c3ccc(OC)cc3)cc2F)cc1OC(=O)C=C.
What is the InChIKey of [2-fluoro-4-(4-methoxyphenyl)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]propanoate?
The InChIKey is XGYVDWPTGQZMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FO7/c1-4-26(30)35-24-13-6-18(16-25(24)36-27(31)5-2)7-15-28(32)34-23-14-10-20(17-22(23)29)19-8-11-21(33-3)12-9-19/h4-6,8-14,16-17H,1-2,7,15H2,3H3.
What are the key properties of [2-fluoro-4-(4-methoxyphenyl)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]propanoate?
[2-fluoro-4-(4-methoxyphenyl)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]propanoate has a molecular weight of 490.48 g/mol, XLogP of 5.22, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-(4-methoxyphenyl)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]propanoate is sourced from PubChem (CID 134467370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).