(E)-3-(4-fluorophenyl)-1-phenylprop-2-en-1-one

C15H11FO — CID 5366988

IUPAC(E)-3-(4-fluorophenyl)-1-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C15H11FO/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11H/b11-8+
InChIKeyNYSCQZARWVHQBE-DHZHZOJOSA-N
MW226.25 g/mol
LogP3.72
Rot. Bonds3

About (E)-3-(4-fluorophenyl)-1-phenylprop-2-en-1-one

(E)-3-(4-fluorophenyl)-1-phenylprop-2-en-1-one (PubChem CID 5366988) has the molecular formula C15H11FO and a molecular weight of 226.25 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-1-phenylprop-2-en-1-one
PubChem CID5366988
Molecular FormulaC15H11FO
Molecular Weight226.25 g/mol
Exact Mass226.08
IUPAC Name(E)-3-(4-fluorophenyl)-1-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C15H11FO/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11H/b11-8+
InChIKeyNYSCQZARWVHQBE-DHZHZOJOSA-N
XLogP3.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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)-3-(4-fluorophenyl)-1-phenylprop-2-en-1-one?
The IUPAC name of (E)-3-(4-fluorophenyl)-1-phenylprop-2-en-1-one (CID 5366988) is (E)-3-(4-fluorophenyl)-1-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-1-phenylprop-2-en-1-one?
The canonical SMILES for (E)-3-(4-fluorophenyl)-1-phenylprop-2-en-1-one is O=C(/C=C/c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-1-phenylprop-2-en-1-one?
The InChIKey is NYSCQZARWVHQBE-DHZHZOJOSA-N. The full InChI is InChI=1S/C15H11FO/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11H/b11-8+.
What are the key properties of (E)-3-(4-fluorophenyl)-1-phenylprop-2-en-1-one?
(E)-3-(4-fluorophenyl)-1-phenylprop-2-en-1-one has a molecular weight of 226.25 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-1-phenylprop-2-en-1-one is sourced from PubChem (CID 5366988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).