4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-(4-fluorophenyl)but-1-enyl]phenol

C24H24FNO2 — CID 118735362

IUPAC4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-(4-fluorophenyl)but-1-enyl]phenol
SMILESCC/C(=C(/c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccc(F)cc1
InChIInChI=1S/C24H24FNO2/c1-2-23(17-3-9-20(25)10-4-17)24(18-5-11-21(27)12-6-18)19-7-13-22(14-8-19)28-16-15-26/h3-14,27H,2,15-16,26H2,1H3/b24-23+
InChIKeyIAEJLUQBMQLFKX-WCWDXBQESA-N
MW377.46 g/mol
LogP5.24
Rot. Bonds7

About 4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-(4-fluorophenyl)but-1-enyl]phenol

4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-(4-fluorophenyl)but-1-enyl]phenol (PubChem CID 118735362) has the molecular formula C24H24FNO2 and a molecular weight of 377.46 g/mol. Its IUPAC name is 4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-(4-fluorophenyl)but-1-enyl]phenol.

Molecular Properties

Compound Name4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-(4-fluorophenyl)but-1-enyl]phenol
PubChem CID118735362
Molecular FormulaC24H24FNO2
Molecular Weight377.46 g/mol
Exact Mass377.18
IUPAC Name4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-(4-fluorophenyl)but-1-enyl]phenol
SMILESCC/C(=C(/c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccc(F)cc1
InChIInChI=1S/C24H24FNO2/c1-2-23(17-3-9-20(25)10-4-17)24(18-5-11-21(27)12-6-18)19-7-13-22(14-8-19)28-16-15-26/h3-14,27H,2,15-16,26H2,1H3/b24-23+
InChIKeyIAEJLUQBMQLFKX-WCWDXBQESA-N
XLogP5.24
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.46
LogP ≤ 55.24
H-Bond Donors ≤ 52
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)-1-[4-(2-aminoethoxy)phenyl]-2-(4-fluorophenyl)but-1-enyl]phenol?
The IUPAC name of 4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-(4-fluorophenyl)but-1-enyl]phenol (CID 118735362) is 4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-(4-fluorophenyl)but-1-enyl]phenol.
What is the SMILES notation for 4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-(4-fluorophenyl)but-1-enyl]phenol?
The canonical SMILES for 4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-(4-fluorophenyl)but-1-enyl]phenol is CC/C(=C(/c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-(4-fluorophenyl)but-1-enyl]phenol?
The InChIKey is IAEJLUQBMQLFKX-WCWDXBQESA-N. The full InChI is InChI=1S/C24H24FNO2/c1-2-23(17-3-9-20(25)10-4-17)24(18-5-11-21(27)12-6-18)19-7-13-22(14-8-19)28-16-15-26/h3-14,27H,2,15-16,26H2,1H3/b24-23+.
What are the key properties of 4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-(4-fluorophenyl)but-1-enyl]phenol?
4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-(4-fluorophenyl)but-1-enyl]phenol has a molecular weight of 377.46 g/mol, XLogP of 5.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-(4-fluorophenyl)but-1-enyl]phenol is sourced from PubChem (CID 118735362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).