(E)-1-[2-(4-fluorophenyl)phenyl]-3-thiophen-2-ylprop-2-en-1-one

C19H13FOS — CID 118725315

IUPAC(E)-1-[2-(4-fluorophenyl)phenyl]-3-thiophen-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccs1)c1ccccc1-c1ccc(F)cc1
InChIInChI=1S/C19H13FOS/c20-15-9-7-14(8-10-15)17-5-1-2-6-18(17)19(21)12-11-16-4-3-13-22-16/h1-13H/b12-11+
InChIKeyOZHVJHUOJWVHDG-VAWYXSNFSA-N
MW308.38 g/mol
LogP5.45
Rot. Bonds4

About (E)-1-[2-(4-fluorophenyl)phenyl]-3-thiophen-2-ylprop-2-en-1-one

(E)-1-[2-(4-fluorophenyl)phenyl]-3-thiophen-2-ylprop-2-en-1-one (PubChem CID 118725315) has the molecular formula C19H13FOS and a molecular weight of 308.38 g/mol. Its IUPAC name is (E)-1-[2-(4-fluorophenyl)phenyl]-3-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[2-(4-fluorophenyl)phenyl]-3-thiophen-2-ylprop-2-en-1-one
PubChem CID118725315
Molecular FormulaC19H13FOS
Molecular Weight308.38 g/mol
Exact Mass308.07
IUPAC Name(E)-1-[2-(4-fluorophenyl)phenyl]-3-thiophen-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccs1)c1ccccc1-c1ccc(F)cc1
InChIInChI=1S/C19H13FOS/c20-15-9-7-14(8-10-15)17-5-1-2-6-18(17)19(21)12-11-16-4-3-13-22-16/h1-13H/b12-11+
InChIKeyOZHVJHUOJWVHDG-VAWYXSNFSA-N
XLogP5.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.38
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[2-(4-fluorophenyl)phenyl]-3-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of (E)-1-[2-(4-fluorophenyl)phenyl]-3-thiophen-2-ylprop-2-en-1-one (CID 118725315) is (E)-1-[2-(4-fluorophenyl)phenyl]-3-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-[2-(4-fluorophenyl)phenyl]-3-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-[2-(4-fluorophenyl)phenyl]-3-thiophen-2-ylprop-2-en-1-one is O=C(/C=C/c1cccs1)c1ccccc1-c1ccc(F)cc1.
What is the InChIKey of (E)-1-[2-(4-fluorophenyl)phenyl]-3-thiophen-2-ylprop-2-en-1-one?
The InChIKey is OZHVJHUOJWVHDG-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H13FOS/c20-15-9-7-14(8-10-15)17-5-1-2-6-18(17)19(21)12-11-16-4-3-13-22-16/h1-13H/b12-11+.
What are the key properties of (E)-1-[2-(4-fluorophenyl)phenyl]-3-thiophen-2-ylprop-2-en-1-one?
(E)-1-[2-(4-fluorophenyl)phenyl]-3-thiophen-2-ylprop-2-en-1-one has a molecular weight of 308.38 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[2-(4-fluorophenyl)phenyl]-3-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 118725315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).