1-(2-fluorophenyl)-3-morpholin-4-yl-3-phenylprop-2-en-1-one

C19H18FNO2 — CID 4963082

IUPAC1-(2-fluorophenyl)-3-morpholin-4-yl-3-phenylprop-2-en-1-one
SMILESO=C(C=C(c1ccccc1)N1CCOCC1)c1ccccc1F
InChIInChI=1S/C19H18FNO2/c20-17-9-5-4-8-16(17)19(22)14-18(15-6-2-1-3-7-15)21-10-12-23-13-11-21/h1-9,14H,10-13H2
InChIKeyQGGBZDHSMPBKAP-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.38
Rot. Bonds4

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

1-(2-fluorophenyl)-3-morpholin-4-yl-3-phenylprop-2-en-1-one (PubChem CID 4963082) has the molecular formula C19H18FNO2 and a molecular weight of 311.36 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-morpholin-4-yl-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-morpholin-4-yl-3-phenylprop-2-en-1-one
PubChem CID4963082
Molecular FormulaC19H18FNO2
Molecular Weight311.36 g/mol
Exact Mass311.13
IUPAC Name1-(2-fluorophenyl)-3-morpholin-4-yl-3-phenylprop-2-en-1-one
SMILESO=C(C=C(c1ccccc1)N1CCOCC1)c1ccccc1F
InChIInChI=1S/C19H18FNO2/c20-17-9-5-4-8-16(17)19(22)14-18(15-6-2-1-3-7-15)21-10-12-23-13-11-21/h1-9,14H,10-13H2
InChIKeyQGGBZDHSMPBKAP-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
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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Related Compounds

(Z)-1,3-diphenyl-3-piperidin-1-ylprop-2-en-1-one
CID 6377486
(E)-3-(azepan-1-yl)-1,3-diphenylprop-2-en-1-one
CID 11324202
(E)-3-morpholin-4-yl-3-phenylprop-2-enenitrile
CID 10846305
(2-morpholin-4-yl-2-oxoethyl) 2-fluorobenzoate
CID 4287540
[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 776715
4-morpholin-4-yl-4-phenyl-1-[3-(trifluoromethyl)phenyl]but-3-en-2-one
CID 54035668
4-[(1Z)-1,3-bis(4-phenylphenyl)buta-1,3-dienyl]morpholine
CID 122228206
(2,6-difluorophenyl)-morpholin-4-ylmethanone
CID 532216
N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]benzamide
CID 42678325
(2-fluorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724246
[2-bromo-4-(morpholine-4-carbothioyl)phenyl] 2-fluorobenzoate
CID 1021107
(2-fluorophenyl)-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 110108209

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-morpholin-4-yl-3-phenylprop-2-en-1-one?
The IUPAC name of 1-(2-fluorophenyl)-3-morpholin-4-yl-3-phenylprop-2-en-1-one (CID 4963082) is 1-(2-fluorophenyl)-3-morpholin-4-yl-3-phenylprop-2-en-1-one.
What is the SMILES notation for 1-(2-fluorophenyl)-3-morpholin-4-yl-3-phenylprop-2-en-1-one?
The canonical SMILES for 1-(2-fluorophenyl)-3-morpholin-4-yl-3-phenylprop-2-en-1-one is O=C(C=C(c1ccccc1)N1CCOCC1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-morpholin-4-yl-3-phenylprop-2-en-1-one?
The InChIKey is QGGBZDHSMPBKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO2/c20-17-9-5-4-8-16(17)19(22)14-18(15-6-2-1-3-7-15)21-10-12-23-13-11-21/h1-9,14H,10-13H2.
What are the key properties of 1-(2-fluorophenyl)-3-morpholin-4-yl-3-phenylprop-2-en-1-one?
1-(2-fluorophenyl)-3-morpholin-4-yl-3-phenylprop-2-en-1-one has a molecular weight of 311.36 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-morpholin-4-yl-3-phenylprop-2-en-1-one is sourced from PubChem (CID 4963082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).