[2-[2-[3-fluoro-4-[2-[2-(prop-2-enoyloxymethyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]methyl prop-2-enoate

C30H25FO4 — CID 123359994

IUPAC[2-[2-[3-fluoro-4-[2-[2-(prop-2-enoyloxymethyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]methyl prop-2-enoate
SMILESC=CC(=O)OCc1ccccc1C=Cc1ccc(C=Cc2ccccc2COC(=O)C=C)c(F)c1
InChIInChI=1S/C30H25FO4/c1-3-29(32)34-20-26-11-7-5-9-23(26)15-13-22-14-16-25(28(31)19-22)18-17-24-10-6-8-12-27(24)21-35-30(33)4-2/h3-19H,1-2,20-21H2
InChIKeyYTQFQZMMFKRRRP-UHFFFAOYSA-N
MW468.52 g/mol
LogP6.62
Rot. Bonds10

About [2-[2-[3-fluoro-4-[2-[2-(prop-2-enoyloxymethyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]methyl prop-2-enoate

[2-[2-[3-fluoro-4-[2-[2-(prop-2-enoyloxymethyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]methyl prop-2-enoate (PubChem CID 123359994) has the molecular formula C30H25FO4 and a molecular weight of 468.52 g/mol. Its IUPAC name is [2-[2-[3-fluoro-4-[2-[2-(prop-2-enoyloxymethyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]methyl prop-2-enoate.

Molecular Properties

Compound Name[2-[2-[3-fluoro-4-[2-[2-(prop-2-enoyloxymethyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]methyl prop-2-enoate
PubChem CID123359994
Molecular FormulaC30H25FO4
Molecular Weight468.52 g/mol
Exact Mass468.17
IUPAC Name[2-[2-[3-fluoro-4-[2-[2-(prop-2-enoyloxymethyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]methyl prop-2-enoate
SMILESC=CC(=O)OCc1ccccc1C=Cc1ccc(C=Cc2ccccc2COC(=O)C=C)c(F)c1
InChIInChI=1S/C30H25FO4/c1-3-29(32)34-20-26-11-7-5-9-23(26)15-13-22-14-16-25(28(31)19-22)18-17-24-10-6-8-12-27(24)21-35-30(33)4-2/h3-19H,1-2,20-21H2
InChIKeyYTQFQZMMFKRRRP-UHFFFAOYSA-N
XLogP6.62
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.52
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-[2-[3-fluoro-4-[2-[2-(prop-2-enoyloxymethyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]methyl prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[2-[3-fluoro-4-[2-[2-(2-methylprop-2-enoyloxymethyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]methyl 2-methylprop-2-enoate
CID 123598603
(2-fluorophenyl)methyl prop-2-enoate
CID 66714923
2-[4-[2-[3-fluoro-4-[2-[4-(2-prop-2-enoyloxyethenoxy)phenyl]ethenyl]phenyl]ethenyl]phenoxy]ethenyl prop-2-enoate
CID 123642028
[3-fluoro-4-[(E)-2-(2-fluorophenyl)ethenyl]phenyl] prop-2-enoate
CID 67706064
2-[4-[2-[3-fluoro-4-[2-[3-(2-prop-2-enoyloxyethenoxy)phenyl]ethenyl]phenyl]ethenyl]phenoxy]ethenyl prop-2-enoate
CID 123199752
2-[4-[2-[4-[2-(2-fluoro-4-prop-2-enoyloxyphenyl)ethenyl]phenyl]ethenyl]phenoxy]ethyl prop-2-enoate
CID 123770109
[2-(aminomethyl)phenyl]methyl prop-2-enoate
CID 174585354
2-fluoro-1,4-bis[(E)-2-(2-methylphenyl)ethenyl]benzene
CID 156631017
CID 169031580
CID 169031580
[3-[2-[2-fluoro-4-[2-[2-(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 123770699
2-[2-[2-[3-fluoro-4-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]phenyl]ethenyl]phenyl]ethenyl]phenoxy]ethyl 2-methylprop-2-enoate
CID 123294887
2-[(E)-2-(3,4-difluorophenyl)ethenyl]phenol
CID 11287698

Frequently Asked Questions

What is the IUPAC name of [2-[2-[3-fluoro-4-[2-[2-(prop-2-enoyloxymethyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]methyl prop-2-enoate?
The IUPAC name of [2-[2-[3-fluoro-4-[2-[2-(prop-2-enoyloxymethyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]methyl prop-2-enoate (CID 123359994) is [2-[2-[3-fluoro-4-[2-[2-(prop-2-enoyloxymethyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]methyl prop-2-enoate.
What is the SMILES notation for [2-[2-[3-fluoro-4-[2-[2-(prop-2-enoyloxymethyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]methyl prop-2-enoate?
The canonical SMILES for [2-[2-[3-fluoro-4-[2-[2-(prop-2-enoyloxymethyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]methyl prop-2-enoate is C=CC(=O)OCc1ccccc1C=Cc1ccc(C=Cc2ccccc2COC(=O)C=C)c(F)c1.
What is the InChIKey of [2-[2-[3-fluoro-4-[2-[2-(prop-2-enoyloxymethyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]methyl prop-2-enoate?
The InChIKey is YTQFQZMMFKRRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FO4/c1-3-29(32)34-20-26-11-7-5-9-23(26)15-13-22-14-16-25(28(31)19-22)18-17-24-10-6-8-12-27(24)21-35-30(33)4-2/h3-19H,1-2,20-21H2.
What are the key properties of [2-[2-[3-fluoro-4-[2-[2-(prop-2-enoyloxymethyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]methyl prop-2-enoate?
[2-[2-[3-fluoro-4-[2-[2-(prop-2-enoyloxymethyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]methyl prop-2-enoate has a molecular weight of 468.52 g/mol, XLogP of 6.62, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[3-fluoro-4-[2-[2-(prop-2-enoyloxymethyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]methyl prop-2-enoate is sourced from PubChem (CID 123359994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).