(E)-2-fluoro-1-morpholin-4-yl-3-(4-phenylmethoxyphenyl)pent-2-en-1-one

C22H24FNO3 — CID 71741100

IUPAC(E)-2-fluoro-1-morpholin-4-yl-3-(4-phenylmethoxyphenyl)pent-2-en-1-one
SMILESCC/C(=C(\F)C(=O)N1CCOCC1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H24FNO3/c1-2-20(21(23)22(25)24-12-14-26-15-13-24)18-8-10-19(11-9-18)27-16-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3/b21-20+
InChIKeyOBZGQPWFNSLYLY-QZQOTICOSA-N
MW369.44 g/mol
LogP4.22
Rot. Bonds6

About (E)-2-fluoro-1-morpholin-4-yl-3-(4-phenylmethoxyphenyl)pent-2-en-1-one

(E)-2-fluoro-1-morpholin-4-yl-3-(4-phenylmethoxyphenyl)pent-2-en-1-one (PubChem CID 71741100) has the molecular formula C22H24FNO3 and a molecular weight of 369.44 g/mol. Its IUPAC name is (E)-2-fluoro-1-morpholin-4-yl-3-(4-phenylmethoxyphenyl)pent-2-en-1-one.

Molecular Properties

Compound Name(E)-2-fluoro-1-morpholin-4-yl-3-(4-phenylmethoxyphenyl)pent-2-en-1-one
PubChem CID71741100
Molecular FormulaC22H24FNO3
Molecular Weight369.44 g/mol
Exact Mass369.17
IUPAC Name(E)-2-fluoro-1-morpholin-4-yl-3-(4-phenylmethoxyphenyl)pent-2-en-1-one
SMILESCC/C(=C(\F)C(=O)N1CCOCC1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H24FNO3/c1-2-20(21(23)22(25)24-12-14-26-15-13-24)18-8-10-19(11-9-18)27-16-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3/b21-20+
InChIKeyOBZGQPWFNSLYLY-QZQOTICOSA-N
XLogP4.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.22
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

(2-morpholin-4-yl-2-oxoethyl) 4-phenylmethoxybenzoate
CID 2607617
(E)-5-chloro-2-fluoro-1-morpholin-4-yl-3-phenylpent-2-en-1-one
CID 71739167
2-(morpholine-4-carbonyl)-3-(4-phenylmethoxyanilino)prop-2-enenitrile
CID 4603539
2-fluoro-3-(4-phenylmethoxyphenyl)but-2-enoic acid
CID 79736838
molecular hydrogen;N-(4-phenylmethoxyphenyl)morpholine-4-carboxamide
CID 143052664
4-phenylmethoxybenzoyl fluoride
CID 154719359
(1-morpholin-4-yl-1-oxopropan-2-yl) 2-(4-phenylmethoxyphenoxy)acetate
CID 55317024
4-phenylmethoxybenzoic acid
CID 68896574
1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-one
CID 90876902
4-[2-[4-[(E)-1,3-diphenylpent-2-en-2-yl]phenoxy]ethyl]morpholine
CID 15497004
N-(3-morpholin-4-ylpropyl)-4-phenylmethoxybenzamide
CID 17459626
azepan-1-yl-(4-phenylmethoxyphenyl)methanone
CID 4958376

Frequently Asked Questions

What is the IUPAC name of (E)-2-fluoro-1-morpholin-4-yl-3-(4-phenylmethoxyphenyl)pent-2-en-1-one?
The IUPAC name of (E)-2-fluoro-1-morpholin-4-yl-3-(4-phenylmethoxyphenyl)pent-2-en-1-one (CID 71741100) is (E)-2-fluoro-1-morpholin-4-yl-3-(4-phenylmethoxyphenyl)pent-2-en-1-one.
What is the SMILES notation for (E)-2-fluoro-1-morpholin-4-yl-3-(4-phenylmethoxyphenyl)pent-2-en-1-one?
The canonical SMILES for (E)-2-fluoro-1-morpholin-4-yl-3-(4-phenylmethoxyphenyl)pent-2-en-1-one is CC/C(=C(\F)C(=O)N1CCOCC1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (E)-2-fluoro-1-morpholin-4-yl-3-(4-phenylmethoxyphenyl)pent-2-en-1-one?
The InChIKey is OBZGQPWFNSLYLY-QZQOTICOSA-N. The full InChI is InChI=1S/C22H24FNO3/c1-2-20(21(23)22(25)24-12-14-26-15-13-24)18-8-10-19(11-9-18)27-16-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3/b21-20+.
What are the key properties of (E)-2-fluoro-1-morpholin-4-yl-3-(4-phenylmethoxyphenyl)pent-2-en-1-one?
(E)-2-fluoro-1-morpholin-4-yl-3-(4-phenylmethoxyphenyl)pent-2-en-1-one has a molecular weight of 369.44 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluoro-1-morpholin-4-yl-3-(4-phenylmethoxyphenyl)pent-2-en-1-one is sourced from PubChem (CID 71741100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).