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

C22H15FO4 — CID 129143052

IUPAC[4-[3-fluoro-4-(4-formyloxyphenyl)phenyl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(-c2ccc(-c3ccc(OC=O)cc3)c(F)c2)cc1
InChIInChI=1S/C22H15FO4/c1-2-22(25)27-19-10-3-15(4-11-19)17-7-12-20(21(23)13-17)16-5-8-18(9-6-16)26-14-24/h2-14H,1H2
InChIKeyRBNZOEPQDFSXQW-UHFFFAOYSA-N
MW362.36 g/mol
LogP4.79
Rot. Bonds6

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

[4-[3-fluoro-4-(4-formyloxyphenyl)phenyl]phenyl] prop-2-enoate (PubChem CID 129143052) has the molecular formula C22H15FO4 and a molecular weight of 362.36 g/mol. Its IUPAC name is [4-[3-fluoro-4-(4-formyloxyphenyl)phenyl]phenyl] prop-2-enoate.

Molecular Properties

Compound Name[4-[3-fluoro-4-(4-formyloxyphenyl)phenyl]phenyl] prop-2-enoate
PubChem CID129143052
Molecular FormulaC22H15FO4
Molecular Weight362.36 g/mol
Exact Mass362.10
IUPAC Name[4-[3-fluoro-4-(4-formyloxyphenyl)phenyl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(-c2ccc(-c3ccc(OC=O)cc3)c(F)c2)cc1
InChIInChI=1S/C22H15FO4/c1-2-22(25)27-19-10-3-15(4-11-19)17-7-12-20(21(23)13-17)16-5-8-18(9-6-16)26-14-24/h2-14H,1H2
InChIKeyRBNZOEPQDFSXQW-UHFFFAOYSA-N
XLogP4.79
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', '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
[4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
CID 67892187
[4-[4-(2-fluoro-4-prop-2-enoyloxyphenyl)phenyl]phenyl] 2-methylprop-2-enoate
CID 147470296
[4-(2-fluoro-4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate
CID 122660267
2-[4-[2-fluoro-4-(2-prop-2-enoyloxyethenoxy)phenyl]phenoxy]ethenyl prop-2-enoate
CID 123899301
[4-(3-fluoro-4-methoxyphenyl)phenyl] prop-2-enoate
CID 126551737
[4-[4-(3-fluoro-4-methoxyphenyl)phenyl]phenyl] prop-2-enoate
CID 135163056
6-[4-[3-fluoro-4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]phenyl]phenoxy]hexyl prop-2-enoate
CID 59768932
2-[3-fluoro-4-[4-[3-fluoro-4-(2-prop-2-enoyloxyethenoxy)phenyl]phenyl]phenoxy]ethenyl prop-2-enoate
CID 123254535
[4-(4-formyloxy-3-phosphanylphenyl)phenyl] prop-2-enoate
CID 137428623
[4-[3-fluoro-5-(4-prop-2-enoyloxyphenyl)phenyl]phenyl] prop-2-enoate
CID 67472311
2-[2-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl prop-2-enoate
CID 122660279

Frequently Asked Questions

What is the IUPAC name of [4-[3-fluoro-4-(4-formyloxyphenyl)phenyl]phenyl] prop-2-enoate?
The IUPAC name of [4-[3-fluoro-4-(4-formyloxyphenyl)phenyl]phenyl] prop-2-enoate (CID 129143052) is [4-[3-fluoro-4-(4-formyloxyphenyl)phenyl]phenyl] prop-2-enoate.
What is the SMILES notation for [4-[3-fluoro-4-(4-formyloxyphenyl)phenyl]phenyl] prop-2-enoate?
The canonical SMILES for [4-[3-fluoro-4-(4-formyloxyphenyl)phenyl]phenyl] prop-2-enoate is C=CC(=O)Oc1ccc(-c2ccc(-c3ccc(OC=O)cc3)c(F)c2)cc1.
What is the InChIKey of [4-[3-fluoro-4-(4-formyloxyphenyl)phenyl]phenyl] prop-2-enoate?
The InChIKey is RBNZOEPQDFSXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FO4/c1-2-22(25)27-19-10-3-15(4-11-19)17-7-12-20(21(23)13-17)16-5-8-18(9-6-16)26-14-24/h2-14H,1H2.
What are the key properties of [4-[3-fluoro-4-(4-formyloxyphenyl)phenyl]phenyl] prop-2-enoate?
[4-[3-fluoro-4-(4-formyloxyphenyl)phenyl]phenyl] prop-2-enoate has a molecular weight of 362.36 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-fluoro-4-(4-formyloxyphenyl)phenyl]phenyl] prop-2-enoate is sourced from PubChem (CID 129143052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).