[2-[(Z)-3-(1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl] 2-fluorobenzoate

C24H15FO4 — CID 15945158

IUPAC[2-[(Z)-3-(1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl] 2-fluorobenzoate
SMILESO=C(/C=C\c1ccccc1OC(=O)c1ccccc1F)c1cc2ccccc2o1
InChIInChI=1S/C24H15FO4/c25-19-10-4-3-9-18(19)24(27)29-21-11-5-1-7-16(21)13-14-20(26)23-15-17-8-2-6-12-22(17)28-23/h1-15H/b14-13-
InChIKeyXVOVQMXJRXWHJZ-YPKPFQOOSA-N
MW386.38 g/mol
LogP5.69
Rot. Bonds5

About [2-[(Z)-3-(1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl] 2-fluorobenzoate

[2-[(Z)-3-(1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl] 2-fluorobenzoate (PubChem CID 15945158) has the molecular formula C24H15FO4 and a molecular weight of 386.38 g/mol. Its IUPAC name is [2-[(Z)-3-(1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl] 2-fluorobenzoate.

Molecular Properties

Compound Name[2-[(Z)-3-(1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl] 2-fluorobenzoate
PubChem CID15945158
Molecular FormulaC24H15FO4
Molecular Weight386.38 g/mol
Exact Mass386.10
IUPAC Name[2-[(Z)-3-(1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl] 2-fluorobenzoate
SMILESO=C(/C=C\c1ccccc1OC(=O)c1ccccc1F)c1cc2ccccc2o1
InChIInChI=1S/C24H15FO4/c25-19-10-4-3-9-18(19)24(27)29-21-11-5-1-7-16(21)13-14-20(26)23-15-17-8-2-6-12-22(17)28-23/h1-15H/b14-13-
InChIKeyXVOVQMXJRXWHJZ-YPKPFQOOSA-N
XLogP5.69
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.38
LogP ≤ 55.69
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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Frequently Asked Questions

What is the IUPAC name of [2-[(Z)-3-(1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl] 2-fluorobenzoate?
The IUPAC name of [2-[(Z)-3-(1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl] 2-fluorobenzoate (CID 15945158) is [2-[(Z)-3-(1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl] 2-fluorobenzoate.
What is the SMILES notation for [2-[(Z)-3-(1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl] 2-fluorobenzoate?
The canonical SMILES for [2-[(Z)-3-(1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl] 2-fluorobenzoate is O=C(/C=C\c1ccccc1OC(=O)c1ccccc1F)c1cc2ccccc2o1.
What is the InChIKey of [2-[(Z)-3-(1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl] 2-fluorobenzoate?
The InChIKey is XVOVQMXJRXWHJZ-YPKPFQOOSA-N. The full InChI is InChI=1S/C24H15FO4/c25-19-10-4-3-9-18(19)24(27)29-21-11-5-1-7-16(21)13-14-20(26)23-15-17-8-2-6-12-22(17)28-23/h1-15H/b14-13-.
What are the key properties of [2-[(Z)-3-(1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl] 2-fluorobenzoate?
[2-[(Z)-3-(1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl] 2-fluorobenzoate has a molecular weight of 386.38 g/mol, XLogP of 5.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(Z)-3-(1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl] 2-fluorobenzoate is sourced from PubChem (CID 15945158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).