4-[2-[(3E)-3-[(2-methoxyphenyl)methylidene]inden-1-yl]ethyl]morpholine

C23H25NO2 — CID 118332418

IUPAC4-[2-[(3E)-3-[(2-methoxyphenyl)methylidene]inden-1-yl]ethyl]morpholine
SMILESCOc1ccccc1/C=C1\C=C(CCN2CCOCC2)c2ccccc21
InChIInChI=1S/C23H25NO2/c1-25-23-9-5-2-6-19(23)17-20-16-18(21-7-3-4-8-22(20)21)10-11-24-12-14-26-15-13-24/h2-9,16-17H,10-15H2,1H3/b20-17+
InChIKeyDKNHSLZUOUTVLE-LVZFUZTISA-N
MW347.46 g/mol
LogP4.36
Rot. Bonds5

About 4-[2-[(3E)-3-[(2-methoxyphenyl)methylidene]inden-1-yl]ethyl]morpholine

4-[2-[(3E)-3-[(2-methoxyphenyl)methylidene]inden-1-yl]ethyl]morpholine (PubChem CID 118332418) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-[2-[(3E)-3-[(2-methoxyphenyl)methylidene]inden-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(3E)-3-[(2-methoxyphenyl)methylidene]inden-1-yl]ethyl]morpholine
PubChem CID118332418
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name4-[2-[(3E)-3-[(2-methoxyphenyl)methylidene]inden-1-yl]ethyl]morpholine
SMILESCOc1ccccc1/C=C1\C=C(CCN2CCOCC2)c2ccccc21
InChIInChI=1S/C23H25NO2/c1-25-23-9-5-2-6-19(23)17-20-16-18(21-7-3-4-8-22(20)21)10-11-24-12-14-26-15-13-24/h2-9,16-17H,10-15H2,1H3/b20-17+
InChIKeyDKNHSLZUOUTVLE-LVZFUZTISA-N
XLogP4.36
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3E)-3-[(2-methoxyphenyl)methylidene]inden-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[(3E)-3-[(2-methoxyphenyl)methylidene]inden-1-yl]ethyl]morpholine (CID 118332418) is 4-[2-[(3E)-3-[(2-methoxyphenyl)methylidene]inden-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(3E)-3-[(2-methoxyphenyl)methylidene]inden-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[(3E)-3-[(2-methoxyphenyl)methylidene]inden-1-yl]ethyl]morpholine is COc1ccccc1/C=C1\C=C(CCN2CCOCC2)c2ccccc21.
What is the InChIKey of 4-[2-[(3E)-3-[(2-methoxyphenyl)methylidene]inden-1-yl]ethyl]morpholine?
The InChIKey is DKNHSLZUOUTVLE-LVZFUZTISA-N. The full InChI is InChI=1S/C23H25NO2/c1-25-23-9-5-2-6-19(23)17-20-16-18(21-7-3-4-8-22(20)21)10-11-24-12-14-26-15-13-24/h2-9,16-17H,10-15H2,1H3/b20-17+.
What are the key properties of 4-[2-[(3E)-3-[(2-methoxyphenyl)methylidene]inden-1-yl]ethyl]morpholine?
4-[2-[(3E)-3-[(2-methoxyphenyl)methylidene]inden-1-yl]ethyl]morpholine has a molecular weight of 347.46 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3E)-3-[(2-methoxyphenyl)methylidene]inden-1-yl]ethyl]morpholine is sourced from PubChem (CID 118332418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).