2-(4-amino-2-fluorophenoxy)-5-[(E)-2-thiophen-3-ylethenyl]phenol

C18H14FNO2S — CID 59191236

IUPAC2-(4-amino-2-fluorophenoxy)-5-[(E)-2-thiophen-3-ylethenyl]phenol
SMILESNc1ccc(Oc2ccc(/C=C/c3ccsc3)cc2O)c(F)c1
InChIInChI=1S/C18H14FNO2S/c19-15-10-14(20)4-6-17(15)22-18-5-3-12(9-16(18)21)1-2-13-7-8-23-11-13/h1-11,21H,20H2/b2-1+
InChIKeyOWEKCWUGFMPYAZ-OWOJBTEDSA-N
MW327.38 g/mol
LogP5.14
Rot. Bonds4

About 2-(4-amino-2-fluorophenoxy)-5-[(E)-2-thiophen-3-ylethenyl]phenol

2-(4-amino-2-fluorophenoxy)-5-[(E)-2-thiophen-3-ylethenyl]phenol (PubChem CID 59191236) has the molecular formula C18H14FNO2S and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-(4-amino-2-fluorophenoxy)-5-[(E)-2-thiophen-3-ylethenyl]phenol.

Molecular Properties

Compound Name2-(4-amino-2-fluorophenoxy)-5-[(E)-2-thiophen-3-ylethenyl]phenol
PubChem CID59191236
Molecular FormulaC18H14FNO2S
Molecular Weight327.38 g/mol
Exact Mass327.07
IUPAC Name2-(4-amino-2-fluorophenoxy)-5-[(E)-2-thiophen-3-ylethenyl]phenol
SMILESNc1ccc(Oc2ccc(/C=C/c3ccsc3)cc2O)c(F)c1
InChIInChI=1S/C18H14FNO2S/c19-15-10-14(20)4-6-17(15)22-18-5-3-12(9-16(18)21)1-2-13-7-8-23-11-13/h1-11,21H,20H2/b2-1+
InChIKeyOWEKCWUGFMPYAZ-OWOJBTEDSA-N
XLogP5.14
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.38
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-fluorophenoxy)-5-[(E)-2-thiophen-3-ylethenyl]phenol?
The IUPAC name of 2-(4-amino-2-fluorophenoxy)-5-[(E)-2-thiophen-3-ylethenyl]phenol (CID 59191236) is 2-(4-amino-2-fluorophenoxy)-5-[(E)-2-thiophen-3-ylethenyl]phenol.
What is the SMILES notation for 2-(4-amino-2-fluorophenoxy)-5-[(E)-2-thiophen-3-ylethenyl]phenol?
The canonical SMILES for 2-(4-amino-2-fluorophenoxy)-5-[(E)-2-thiophen-3-ylethenyl]phenol is Nc1ccc(Oc2ccc(/C=C/c3ccsc3)cc2O)c(F)c1.
What is the InChIKey of 2-(4-amino-2-fluorophenoxy)-5-[(E)-2-thiophen-3-ylethenyl]phenol?
The InChIKey is OWEKCWUGFMPYAZ-OWOJBTEDSA-N. The full InChI is InChI=1S/C18H14FNO2S/c19-15-10-14(20)4-6-17(15)22-18-5-3-12(9-16(18)21)1-2-13-7-8-23-11-13/h1-11,21H,20H2/b2-1+.
What are the key properties of 2-(4-amino-2-fluorophenoxy)-5-[(E)-2-thiophen-3-ylethenyl]phenol?
2-(4-amino-2-fluorophenoxy)-5-[(E)-2-thiophen-3-ylethenyl]phenol has a molecular weight of 327.38 g/mol, XLogP of 5.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-fluorophenoxy)-5-[(E)-2-thiophen-3-ylethenyl]phenol is sourced from PubChem (CID 59191236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).