4-[(E)-2-fluoro-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]ethenyl]phenol

C27H28FNO2 — CID 71567650

IUPAC4-[(E)-2-fluoro-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]ethenyl]phenol
SMILESOc1ccc(/C(=C(\F)c2ccccc2)c2ccc(OCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C27H28FNO2/c28-27(23-7-3-1-4-8-23)26(21-9-13-24(30)14-10-21)22-11-15-25(16-12-22)31-20-19-29-17-5-2-6-18-29/h1,3-4,7-16,30H,2,5-6,17-20H2/b27-26+
InChIKeyJZZQVMQVTHPDJH-CYYJNZCTSA-N
MW417.52 g/mol
LogP6.14
Rot. Bonds7

About 4-[(E)-2-fluoro-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]ethenyl]phenol

4-[(E)-2-fluoro-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]ethenyl]phenol (PubChem CID 71567650) has the molecular formula C27H28FNO2 and a molecular weight of 417.52 g/mol. Its IUPAC name is 4-[(E)-2-fluoro-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]ethenyl]phenol.

Molecular Properties

Compound Name4-[(E)-2-fluoro-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]ethenyl]phenol
PubChem CID71567650
Molecular FormulaC27H28FNO2
Molecular Weight417.52 g/mol
Exact Mass417.21
IUPAC Name4-[(E)-2-fluoro-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]ethenyl]phenol
SMILESOc1ccc(/C(=C(\F)c2ccccc2)c2ccc(OCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C27H28FNO2/c28-27(23-7-3-1-4-8-23)26(21-9-13-24(30)14-10-21)22-11-15-25(16-12-22)31-20-19-29-17-5-2-6-18-29/h1,3-4,7-16,30H,2,5-6,17-20H2/b27-26+
InChIKeyJZZQVMQVTHPDJH-CYYJNZCTSA-N
XLogP6.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.52
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-fluoro-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]ethenyl]phenol?
The IUPAC name of 4-[(E)-2-fluoro-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]ethenyl]phenol (CID 71567650) is 4-[(E)-2-fluoro-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]ethenyl]phenol.
What is the SMILES notation for 4-[(E)-2-fluoro-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]ethenyl]phenol?
The canonical SMILES for 4-[(E)-2-fluoro-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]ethenyl]phenol is Oc1ccc(/C(=C(\F)c2ccccc2)c2ccc(OCCN3CCCCC3)cc2)cc1.
What is the InChIKey of 4-[(E)-2-fluoro-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]ethenyl]phenol?
The InChIKey is JZZQVMQVTHPDJH-CYYJNZCTSA-N. The full InChI is InChI=1S/C27H28FNO2/c28-27(23-7-3-1-4-8-23)26(21-9-13-24(30)14-10-21)22-11-15-25(16-12-22)31-20-19-29-17-5-2-6-18-29/h1,3-4,7-16,30H,2,5-6,17-20H2/b27-26+.
What are the key properties of 4-[(E)-2-fluoro-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]ethenyl]phenol?
4-[(E)-2-fluoro-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]ethenyl]phenol has a molecular weight of 417.52 g/mol, XLogP of 6.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-fluoro-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]ethenyl]phenol is sourced from PubChem (CID 71567650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).