4-[2-[4-[(E)-1,3-diphenylpent-2-en-2-yl]phenoxy]ethyl]morpholine

C29H33NO2 — CID 15497004

IUPAC4-[2-[4-[(E)-1,3-diphenylpent-2-en-2-yl]phenoxy]ethyl]morpholine
SMILESCC/C(=C(/Cc1ccccc1)c1ccc(OCCN2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C29H33NO2/c1-2-28(25-11-7-4-8-12-25)29(23-24-9-5-3-6-10-24)26-13-15-27(16-14-26)32-22-19-30-17-20-31-21-18-30/h3-16H,2,17-23H2,1H3/b29-28+
InChIKeyPEHILMKQNKNIMH-ZQHSETAFSA-N
MW427.59 g/mol
LogP5.96
Rot. Bonds9

About 4-[2-[4-[(E)-1,3-diphenylpent-2-en-2-yl]phenoxy]ethyl]morpholine

4-[2-[4-[(E)-1,3-diphenylpent-2-en-2-yl]phenoxy]ethyl]morpholine (PubChem CID 15497004) has the molecular formula C29H33NO2 and a molecular weight of 427.59 g/mol. Its IUPAC name is 4-[2-[4-[(E)-1,3-diphenylpent-2-en-2-yl]phenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[(E)-1,3-diphenylpent-2-en-2-yl]phenoxy]ethyl]morpholine
PubChem CID15497004
Molecular FormulaC29H33NO2
Molecular Weight427.59 g/mol
Exact Mass427.25
IUPAC Name4-[2-[4-[(E)-1,3-diphenylpent-2-en-2-yl]phenoxy]ethyl]morpholine
SMILESCC/C(=C(/Cc1ccccc1)c1ccc(OCCN2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C29H33NO2/c1-2-28(25-11-7-4-8-12-25)29(23-24-9-5-3-6-10-24)26-13-15-27(16-14-26)32-22-19-30-17-20-31-21-18-30/h3-16H,2,17-23H2,1H3/b29-28+
InChIKeyPEHILMKQNKNIMH-ZQHSETAFSA-N
XLogP5.96
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.59
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-[2-[4-[(Z)-1,2-diphenylpent-2-en-3-yl]phenoxy]ethyl]piperidine
CID 10296016
2-morpholin-4-yl-N-[4-[(E)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylbut-1-enyl]phenyl]acetamide
CID 162658904
1-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-4-methylpiperazine
CID 12888164
N-[(Z)-1-[4-(2-morpholin-4-ylethoxy)phenyl]propylideneamino]benzamide
CID 5455254
1-[3-[4-[(E)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]but-1-enyl]phenoxy]propyl]pyrrolidine
CID 144608980
1-[2-[4-(2-benzyl-1-phenylbut-1-enyl)phenoxy]ethyl]piperidine
CID 70142376
1-[4-(2-morpholin-4-ylethoxy)phenyl]butan-1-one
CID 66821978
4-[[3-(2-morpholin-4-ylethoxy)phenyl]methoxy]benzoic acid
CID 68727410
4-[2-[4-(1,2-diphenylpent-2-en-3-yl)phenoxy]ethyl]piperidine
CID 70142473
2-[4-(3-morpholin-4-ylpropoxy)phenyl]acetic acid
CID 22241707
4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]morpholine
CID 803266
4-[2-[4-[4-(2-fluoro-4-phenylbut-2-enyl)phenyl]phenoxy]ethyl]morpholine
CID 91083493

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[(E)-1,3-diphenylpent-2-en-2-yl]phenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[4-[(E)-1,3-diphenylpent-2-en-2-yl]phenoxy]ethyl]morpholine (CID 15497004) is 4-[2-[4-[(E)-1,3-diphenylpent-2-en-2-yl]phenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[(E)-1,3-diphenylpent-2-en-2-yl]phenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-[(E)-1,3-diphenylpent-2-en-2-yl]phenoxy]ethyl]morpholine is CC/C(=C(/Cc1ccccc1)c1ccc(OCCN2CCOCC2)cc1)c1ccccc1.
What is the InChIKey of 4-[2-[4-[(E)-1,3-diphenylpent-2-en-2-yl]phenoxy]ethyl]morpholine?
The InChIKey is PEHILMKQNKNIMH-ZQHSETAFSA-N. The full InChI is InChI=1S/C29H33NO2/c1-2-28(25-11-7-4-8-12-25)29(23-24-9-5-3-6-10-24)26-13-15-27(16-14-26)32-22-19-30-17-20-31-21-18-30/h3-16H,2,17-23H2,1H3/b29-28+.
What are the key properties of 4-[2-[4-[(E)-1,3-diphenylpent-2-en-2-yl]phenoxy]ethyl]morpholine?
4-[2-[4-[(E)-1,3-diphenylpent-2-en-2-yl]phenoxy]ethyl]morpholine has a molecular weight of 427.59 g/mol, XLogP of 5.96, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[(E)-1,3-diphenylpent-2-en-2-yl]phenoxy]ethyl]morpholine is sourced from PubChem (CID 15497004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).