[4-(4-ethenylphenyl)phenyl] 4-ethenyl-2-fluorobenzoate

C23H17FO2 — CID 118155619

IUPAC[4-(4-ethenylphenyl)phenyl] 4-ethenyl-2-fluorobenzoate
SMILESC=Cc1ccc(-c2ccc(OC(=O)c3ccc(C=C)cc3F)cc2)cc1
InChIInChI=1S/C23H17FO2/c1-3-16-5-8-18(9-6-16)19-10-12-20(13-11-19)26-23(25)21-14-7-17(4-2)15-22(21)24/h3-15H,1-2H2
InChIKeyMFQMQHJKYGYREZ-UHFFFAOYSA-N
MW344.39 g/mol
LogP6.00
Rot. Bonds5

About [4-(4-ethenylphenyl)phenyl] 4-ethenyl-2-fluorobenzoate

[4-(4-ethenylphenyl)phenyl] 4-ethenyl-2-fluorobenzoate (PubChem CID 118155619) has the molecular formula C23H17FO2 and a molecular weight of 344.39 g/mol. Its IUPAC name is [4-(4-ethenylphenyl)phenyl] 4-ethenyl-2-fluorobenzoate.

Molecular Properties

Compound Name[4-(4-ethenylphenyl)phenyl] 4-ethenyl-2-fluorobenzoate
PubChem CID118155619
Molecular FormulaC23H17FO2
Molecular Weight344.39 g/mol
Exact Mass344.12
IUPAC Name[4-(4-ethenylphenyl)phenyl] 4-ethenyl-2-fluorobenzoate
SMILESC=Cc1ccc(-c2ccc(OC(=O)c3ccc(C=C)cc3F)cc2)cc1
InChIInChI=1S/C23H17FO2/c1-3-16-5-8-18(9-6-16)19-10-12-20(13-11-19)26-23(25)21-14-7-17(4-2)15-22(21)24/h3-15H,1-2H2
InChIKeyMFQMQHJKYGYREZ-UHFFFAOYSA-N
XLogP6.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.39
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(4-ethenylphenyl)phenyl] 4-ethenyl-2-fluorobenzoate?
The IUPAC name of [4-(4-ethenylphenyl)phenyl] 4-ethenyl-2-fluorobenzoate (CID 118155619) is [4-(4-ethenylphenyl)phenyl] 4-ethenyl-2-fluorobenzoate.
What is the SMILES notation for [4-(4-ethenylphenyl)phenyl] 4-ethenyl-2-fluorobenzoate?
The canonical SMILES for [4-(4-ethenylphenyl)phenyl] 4-ethenyl-2-fluorobenzoate is C=Cc1ccc(-c2ccc(OC(=O)c3ccc(C=C)cc3F)cc2)cc1.
What is the InChIKey of [4-(4-ethenylphenyl)phenyl] 4-ethenyl-2-fluorobenzoate?
The InChIKey is MFQMQHJKYGYREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FO2/c1-3-16-5-8-18(9-6-16)19-10-12-20(13-11-19)26-23(25)21-14-7-17(4-2)15-22(21)24/h3-15H,1-2H2.
What are the key properties of [4-(4-ethenylphenyl)phenyl] 4-ethenyl-2-fluorobenzoate?
[4-(4-ethenylphenyl)phenyl] 4-ethenyl-2-fluorobenzoate has a molecular weight of 344.39 g/mol, XLogP of 6.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethenylphenyl)phenyl] 4-ethenyl-2-fluorobenzoate is sourced from PubChem (CID 118155619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).