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

C19H18FNO2 — CID 6281033

IUPAC(E)-3-(4-fluorophenyl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(F)cc1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H18FNO2/c20-17-6-1-15(2-7-17)3-10-19(22)16-4-8-18(9-5-16)21-11-13-23-14-12-21/h1-10H,11-14H2/b10-3+
InChIKeyAZANHEUANQHNCM-XCVCLJGOSA-N
MW311.36 g/mol
LogP3.56
Rot. Bonds4

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

(E)-3-(4-fluorophenyl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one (PubChem CID 6281033) has the molecular formula C19H18FNO2 and a molecular weight of 311.36 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one
PubChem CID6281033
Molecular FormulaC19H18FNO2
Molecular Weight311.36 g/mol
Exact Mass311.13
IUPAC Name(E)-3-(4-fluorophenyl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(F)cc1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H18FNO2/c20-17-6-1-15(2-7-17)3-10-19(22)16-4-8-18(9-5-16)21-11-13-23-14-12-21/h1-10H,11-14H2/b10-3+
InChIKeyAZANHEUANQHNCM-XCVCLJGOSA-N
XLogP3.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(4-morpholin-4-ylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(4-fluorophenyl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one (CID 6281033) is (E)-3-(4-fluorophenyl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(4-fluorophenyl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one is O=C(/C=C/c1ccc(F)cc1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one?
The InChIKey is AZANHEUANQHNCM-XCVCLJGOSA-N. The full InChI is InChI=1S/C19H18FNO2/c20-17-6-1-15(2-7-17)3-10-19(22)16-4-8-18(9-5-16)21-11-13-23-14-12-21/h1-10H,11-14H2/b10-3+.
What are the key properties of (E)-3-(4-fluorophenyl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one?
(E)-3-(4-fluorophenyl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one has a molecular weight of 311.36 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one is sourced from PubChem (CID 6281033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).