(E)-1-(4-fluorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one

C22H17FO2 — CID 5346482

IUPAC(E)-1-(4-fluorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C22H17FO2/c23-20-11-9-19(10-12-20)22(24)15-8-17-6-13-21(14-7-17)25-16-18-4-2-1-3-5-18/h1-15H,16H2/b15-8+
InChIKeyIWXGPHFRFJTQNH-OVCLIPMQSA-N
MW332.37 g/mol
LogP5.30
Rot. Bonds6

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

(E)-1-(4-fluorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one (PubChem CID 5346482) has the molecular formula C22H17FO2 and a molecular weight of 332.37 g/mol. Its IUPAC name is (E)-1-(4-fluorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-fluorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
PubChem CID5346482
Molecular FormulaC22H17FO2
Molecular Weight332.37 g/mol
Exact Mass332.12
IUPAC Name(E)-1-(4-fluorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C22H17FO2/c23-20-11-9-19(10-12-20)22(24)15-8-17-6-13-21(14-7-17)25-16-18-4-2-1-3-5-18/h1-15H,16H2/b15-8+
InChIKeyIWXGPHFRFJTQNH-OVCLIPMQSA-N
XLogP5.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.37
LogP ≤ 55.30
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-(4-fluorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(4-fluorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one (CID 5346482) is (E)-1-(4-fluorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-fluorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(4-fluorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one is O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1.
What is the InChIKey of (E)-1-(4-fluorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one?
The InChIKey is IWXGPHFRFJTQNH-OVCLIPMQSA-N. The full InChI is InChI=1S/C22H17FO2/c23-20-11-9-19(10-12-20)22(24)15-8-17-6-13-21(14-7-17)25-16-18-4-2-1-3-5-18/h1-15H,16H2/b15-8+.
What are the key properties of (E)-1-(4-fluorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one?
(E)-1-(4-fluorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one has a molecular weight of 332.37 g/mol, XLogP of 5.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-fluorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 5346482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).