1-[4-ethoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethanone

C15H22NO3+ — CID 2450170

IUPAC1-[4-ethoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethanone
SMILESCCOc1ccc(C(C)=O)cc1C[NH+]1CCOCC1
InChIInChI=1S/C15H21NO3/c1-3-19-15-5-4-13(12(2)17)10-14(15)11-16-6-8-18-9-7-16/h4-5,10H,3,6-9,11H2,1-2H3/p+1
InChIKeyZAHAYRAAFOGQNB-UHFFFAOYSA-O
MW264.34 g/mol
LogP0.70
Rot. Bonds5

About 1-[4-ethoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethanone

1-[4-ethoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethanone (PubChem CID 2450170) has the molecular formula C15H22NO3+ and a molecular weight of 264.34 g/mol. Its IUPAC name is 1-[4-ethoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-ethoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethanone
PubChem CID2450170
Molecular FormulaC15H22NO3+
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name1-[4-ethoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethanone
SMILESCCOc1ccc(C(C)=O)cc1C[NH+]1CCOCC1
InChIInChI=1S/C15H21NO3/c1-3-19-15-5-4-13(12(2)17)10-14(15)11-16-6-8-18-9-7-16/h4-5,10H,3,6-9,11H2,1-2H3/p+1
InChIKeyZAHAYRAAFOGQNB-UHFFFAOYSA-O
XLogP0.70
TPSA39.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-ethoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-ethoxy-3-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]phenyl]ethanone
CID 8686949
1-[3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-ethoxyphenyl]ethanone
CID 8582652
1-[4-ethoxy-3-(oxan-4-ylsulfinylmethyl)phenyl]ethanone
CID 64638975
(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylidenehydrazine
CID 7441652
[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]urea
CID 9017280
1-[3-(2,2-difluoroethoxymethyl)-4-ethoxyphenyl]ethanone
CID 82005623
1-[3-(azepan-1-ylmethyl)-4-ethoxyphenyl]ethanone
CID 60644688
1-[4-ethoxy-3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]ethanone
CID 60683609
2-[(5-acetyl-2-ethoxyphenyl)methyl-methylamino]acetic acid
CID 43442595
2-[(5-acetyl-2-ethoxyphenyl)methylsulfanyl]acetic acid
CID 43237581
1-[3-[[2-aminoethyl(methyl)amino]methyl]-4-ethoxyphenyl]ethanone
CID 62687564
1-[3-(tert-butylsulfonylmethyl)-4-ethoxyphenyl]ethanone
CID 64642742

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethanone?
The IUPAC name of 1-[4-ethoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethanone (CID 2450170) is 1-[4-ethoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-ethoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethanone?
The canonical SMILES for 1-[4-ethoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethanone is CCOc1ccc(C(C)=O)cc1C[NH+]1CCOCC1.
What is the InChIKey of 1-[4-ethoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethanone?
The InChIKey is ZAHAYRAAFOGQNB-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H21NO3/c1-3-19-15-5-4-13(12(2)17)10-14(15)11-16-6-8-18-9-7-16/h4-5,10H,3,6-9,11H2,1-2H3/p+1.
What are the key properties of 1-[4-ethoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethanone?
1-[4-ethoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethanone has a molecular weight of 264.34 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethanone is sourced from PubChem (CID 2450170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).