[4-[3-fluoro-5-(4-prop-2-enoyloxyphenyl)phenyl]phenyl] prop-2-enoate

C24H17FO4 — CID 67472311

IUPAC[4-[3-fluoro-5-(4-prop-2-enoyloxyphenyl)phenyl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(-c2cc(F)cc(-c3ccc(OC(=O)C=C)cc3)c2)cc1
InChIInChI=1S/C24H17FO4/c1-3-23(26)28-21-9-5-16(6-10-21)18-13-19(15-20(25)14-18)17-7-11-22(12-8-17)29-24(27)4-2/h3-15H,1-2H2
InChIKeyJVLSASQHNSMYIQ-UHFFFAOYSA-N
MW388.39 g/mol
LogP5.34
Rot. Bonds6

About [4-[3-fluoro-5-(4-prop-2-enoyloxyphenyl)phenyl]phenyl] prop-2-enoate

[4-[3-fluoro-5-(4-prop-2-enoyloxyphenyl)phenyl]phenyl] prop-2-enoate (PubChem CID 67472311) has the molecular formula C24H17FO4 and a molecular weight of 388.39 g/mol. Its IUPAC name is [4-[3-fluoro-5-(4-prop-2-enoyloxyphenyl)phenyl]phenyl] prop-2-enoate.

Molecular Properties

Compound Name[4-[3-fluoro-5-(4-prop-2-enoyloxyphenyl)phenyl]phenyl] prop-2-enoate
PubChem CID67472311
Molecular FormulaC24H17FO4
Molecular Weight388.39 g/mol
Exact Mass388.11
IUPAC Name[4-[3-fluoro-5-(4-prop-2-enoyloxyphenyl)phenyl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(-c2cc(F)cc(-c3ccc(OC(=O)C=C)cc3)c2)cc1
InChIInChI=1S/C24H17FO4/c1-3-23(26)28-21-9-5-16(6-10-21)18-13-19(15-20(25)14-18)17-7-11-22(12-8-17)29-24(27)4-2/h3-15H,1-2H2
InChIKeyJVLSASQHNSMYIQ-UHFFFAOYSA-N
XLogP5.34
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.39
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
CID 67892187
[4-[4-[2-[3,5-di(prop-2-enoyloxy)phenoxy]ethoxy]phenyl]phenyl] prop-2-enoate
CID 144902457
8-[4-(3,5-difluorophenyl)phenoxy]octyl prop-2-enoate
CID 134446776
[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-[4-[N-methyl-4-(4-prop-2-enoyloxyphenyl)anilino]phenyl]phenyl] prop-2-enoate
CID 22089909
[4-(4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate
CID 89212422
[4-[4-(4-prop-2-enoyloxyphenyl)phenyl]phenyl] 2-methylprop-2-enoate
CID 118680413
[4-[3-fluoro-4-(4-formyloxyphenyl)phenyl]phenyl] prop-2-enoate
CID 129143052
2-[2-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl prop-2-enoate
CID 122660279
(3-fluorophenyl) prop-2-enoate
CID 21098293
[4-[4-(2-oxobut-3-enyl)phenyl]phenyl] prop-2-enoate
CID 134168478

Frequently Asked Questions

What is the IUPAC name of [4-[3-fluoro-5-(4-prop-2-enoyloxyphenyl)phenyl]phenyl] prop-2-enoate?
The IUPAC name of [4-[3-fluoro-5-(4-prop-2-enoyloxyphenyl)phenyl]phenyl] prop-2-enoate (CID 67472311) is [4-[3-fluoro-5-(4-prop-2-enoyloxyphenyl)phenyl]phenyl] prop-2-enoate.
What is the SMILES notation for [4-[3-fluoro-5-(4-prop-2-enoyloxyphenyl)phenyl]phenyl] prop-2-enoate?
The canonical SMILES for [4-[3-fluoro-5-(4-prop-2-enoyloxyphenyl)phenyl]phenyl] prop-2-enoate is C=CC(=O)Oc1ccc(-c2cc(F)cc(-c3ccc(OC(=O)C=C)cc3)c2)cc1.
What is the InChIKey of [4-[3-fluoro-5-(4-prop-2-enoyloxyphenyl)phenyl]phenyl] prop-2-enoate?
The InChIKey is JVLSASQHNSMYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FO4/c1-3-23(26)28-21-9-5-16(6-10-21)18-13-19(15-20(25)14-18)17-7-11-22(12-8-17)29-24(27)4-2/h3-15H,1-2H2.
What are the key properties of [4-[3-fluoro-5-(4-prop-2-enoyloxyphenyl)phenyl]phenyl] prop-2-enoate?
[4-[3-fluoro-5-(4-prop-2-enoyloxyphenyl)phenyl]phenyl] prop-2-enoate has a molecular weight of 388.39 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-fluoro-5-(4-prop-2-enoyloxyphenyl)phenyl]phenyl] prop-2-enoate is sourced from PubChem (CID 67472311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).