1-[2-(4-ethylphenyl)morpholin-4-yl]-4-phenoxybutan-1-one

C22H27NO3 — CID 110364018

IUPAC1-[2-(4-ethylphenyl)morpholin-4-yl]-4-phenoxybutan-1-one
SMILESCCc1ccc(C2CN(C(=O)CCCOc3ccccc3)CCO2)cc1
InChIInChI=1S/C22H27NO3/c1-2-18-10-12-19(13-11-18)21-17-23(14-16-26-21)22(24)9-6-15-25-20-7-4-3-5-8-20/h3-5,7-8,10-13,21H,2,6,9,14-17H2,1H3
InChIKeySRCGVEJPYMXWHH-UHFFFAOYSA-N
MW353.46 g/mol
LogP4.01
Rot. Bonds7

About 1-[2-(4-ethylphenyl)morpholin-4-yl]-4-phenoxybutan-1-one

1-[2-(4-ethylphenyl)morpholin-4-yl]-4-phenoxybutan-1-one (PubChem CID 110364018) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is 1-[2-(4-ethylphenyl)morpholin-4-yl]-4-phenoxybutan-1-one.

Molecular Properties

Compound Name1-[2-(4-ethylphenyl)morpholin-4-yl]-4-phenoxybutan-1-one
PubChem CID110364018
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name1-[2-(4-ethylphenyl)morpholin-4-yl]-4-phenoxybutan-1-one
SMILESCCc1ccc(C2CN(C(=O)CCCOc3ccccc3)CCO2)cc1
InChIInChI=1S/C22H27NO3/c1-2-18-10-12-19(13-11-18)21-17-23(14-16-26-21)22(24)9-6-15-25-20-7-4-3-5-8-20/h3-5,7-8,10-13,21H,2,6,9,14-17H2,1H3
InChIKeySRCGVEJPYMXWHH-UHFFFAOYSA-N
XLogP4.01
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-fluorophenyl)morpholin-4-yl]-4-phenoxybutan-1-one
CID 110326763
1-[2-(4-ethylphenyl)morpholin-4-yl]-2-(4-methylphenoxy)ethanone
CID 110364025
4-phenoxy-1-(5-phenyl-1,3-oxazolidin-3-yl)butan-1-one
CID 110746632
2-(2-phenoxyethoxy)-1-[(2S)-2-phenylmorpholin-4-yl]ethanone
CID 97015199
1-[2-(4-ethylphenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 110364040
1-[2-(4-ethylphenyl)morpholin-4-yl]ethanone
CID 71684128
4-ethyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzamide
CID 16894751
N-(4-ethylphenyl)-2-phenylmorpholine-4-carboxamide
CID 84526380
1-[2-(4-ethylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 110364011
1-(4-methoxyphenyl)-5-(2-phenylmorpholin-4-yl)pentane-1,5-dione
CID 110308920
2-(4-methoxyphenoxy)-1-[(2S)-2-phenylmorpholin-4-yl]ethanone
CID 25281339
2-(4-methoxyphenoxy)-1-[(2R)-2-phenylmorpholin-4-yl]ethanone
CID 25281342

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylphenyl)morpholin-4-yl]-4-phenoxybutan-1-one?
The IUPAC name of 1-[2-(4-ethylphenyl)morpholin-4-yl]-4-phenoxybutan-1-one (CID 110364018) is 1-[2-(4-ethylphenyl)morpholin-4-yl]-4-phenoxybutan-1-one.
What is the SMILES notation for 1-[2-(4-ethylphenyl)morpholin-4-yl]-4-phenoxybutan-1-one?
The canonical SMILES for 1-[2-(4-ethylphenyl)morpholin-4-yl]-4-phenoxybutan-1-one is CCc1ccc(C2CN(C(=O)CCCOc3ccccc3)CCO2)cc1.
What is the InChIKey of 1-[2-(4-ethylphenyl)morpholin-4-yl]-4-phenoxybutan-1-one?
The InChIKey is SRCGVEJPYMXWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-2-18-10-12-19(13-11-18)21-17-23(14-16-26-21)22(24)9-6-15-25-20-7-4-3-5-8-20/h3-5,7-8,10-13,21H,2,6,9,14-17H2,1H3.
What are the key properties of 1-[2-(4-ethylphenyl)morpholin-4-yl]-4-phenoxybutan-1-one?
1-[2-(4-ethylphenyl)morpholin-4-yl]-4-phenoxybutan-1-one has a molecular weight of 353.46 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylphenyl)morpholin-4-yl]-4-phenoxybutan-1-one is sourced from PubChem (CID 110364018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).