4-[2-[4-[4-(2-fluoro-4-phenylbut-2-enyl)phenyl]phenoxy]ethyl]morpholine

C28H30FNO2 — CID 91083493

IUPAC4-[2-[4-[4-(2-fluoro-4-phenylbut-2-enyl)phenyl]phenoxy]ethyl]morpholine
SMILESFC(=CCc1ccccc1)Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cc1
InChIInChI=1S/C28H30FNO2/c29-27(13-8-23-4-2-1-3-5-23)22-24-6-9-25(10-7-24)26-11-14-28(15-12-26)32-21-18-30-16-19-31-20-17-30/h1-7,9-15H,8,16-22H2
InChIKeySQJOKDJMXVEYOW-UHFFFAOYSA-N
MW431.55 g/mol
LogP5.70
Rot. Bonds9

About 4-[2-[4-[4-(2-fluoro-4-phenylbut-2-enyl)phenyl]phenoxy]ethyl]morpholine

4-[2-[4-[4-(2-fluoro-4-phenylbut-2-enyl)phenyl]phenoxy]ethyl]morpholine (PubChem CID 91083493) has the molecular formula C28H30FNO2 and a molecular weight of 431.55 g/mol. Its IUPAC name is 4-[2-[4-[4-(2-fluoro-4-phenylbut-2-enyl)phenyl]phenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[4-(2-fluoro-4-phenylbut-2-enyl)phenyl]phenoxy]ethyl]morpholine
PubChem CID91083493
Molecular FormulaC28H30FNO2
Molecular Weight431.55 g/mol
Exact Mass431.23
IUPAC Name4-[2-[4-[4-(2-fluoro-4-phenylbut-2-enyl)phenyl]phenoxy]ethyl]morpholine
SMILESFC(=CCc1ccccc1)Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cc1
InChIInChI=1S/C28H30FNO2/c29-27(13-8-23-4-2-1-3-5-23)22-24-6-9-25(10-7-24)26-11-14-28(15-12-26)32-21-18-30-16-19-31-20-17-30/h1-7,9-15H,8,16-22H2
InChIKeySQJOKDJMXVEYOW-UHFFFAOYSA-N
XLogP5.70
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.55
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[4-[(E)-1,3-diphenylpent-2-en-2-yl]phenoxy]ethyl]morpholine
CID 15497004
2-[4-(3-morpholin-4-ylpropoxy)phenyl]acetic acid
CID 22241707
2-morpholin-4-ylethyl 2-phenylacetate
CID 797103
N-benzyl-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridine-2-carboxamide
CID 98007458
1-phenyl-4-[2-(4-phenylphenoxy)ethyl]piperazine
CID 94036722
N-benzyl-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridine-2-carboxamide;dihydrochloride
CID 163320860
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
4-[2-[4-(3-fluoro-4-methylphenyl)phenoxy]ethyl]morpholine
CID 123641546
4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]morpholine
CID 803266
2-morpholin-4-ylethyl 2-phenylacetate;hydrate;hydrochloride
CID 23622530
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[4-(2-fluoro-4-phenylbut-2-enyl)phenyl]phenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[4-[4-(2-fluoro-4-phenylbut-2-enyl)phenyl]phenoxy]ethyl]morpholine (CID 91083493) is 4-[2-[4-[4-(2-fluoro-4-phenylbut-2-enyl)phenyl]phenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[4-(2-fluoro-4-phenylbut-2-enyl)phenyl]phenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-[4-(2-fluoro-4-phenylbut-2-enyl)phenyl]phenoxy]ethyl]morpholine is FC(=CCc1ccccc1)Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cc1.
What is the InChIKey of 4-[2-[4-[4-(2-fluoro-4-phenylbut-2-enyl)phenyl]phenoxy]ethyl]morpholine?
The InChIKey is SQJOKDJMXVEYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FNO2/c29-27(13-8-23-4-2-1-3-5-23)22-24-6-9-25(10-7-24)26-11-14-28(15-12-26)32-21-18-30-16-19-31-20-17-30/h1-7,9-15H,8,16-22H2.
What are the key properties of 4-[2-[4-[4-(2-fluoro-4-phenylbut-2-enyl)phenyl]phenoxy]ethyl]morpholine?
4-[2-[4-[4-(2-fluoro-4-phenylbut-2-enyl)phenyl]phenoxy]ethyl]morpholine has a molecular weight of 431.55 g/mol, XLogP of 5.70, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[4-(2-fluoro-4-phenylbut-2-enyl)phenyl]phenoxy]ethyl]morpholine is sourced from PubChem (CID 91083493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).