1-morpholin-4-ium-4-ylpropan-2-yl 4-ethoxybenzoate chloride

C16H24ClNO4 — CID 44656541

IUPAC1-morpholin-4-ium-4-ylpropan-2-yl 4-ethoxybenzoate chloride
SMILESCCOc1ccc(C(=O)OC(C)C[NH+]2CCOCC2)cc1.[Cl-]
InChIInChI=1S/C16H23NO4.ClH/c1-3-20-15-6-4-14(5-7-15)16(18)21-13(2)12-17-8-10-19-11-9-17;/h4-7,13H,3,8-12H2,1-2H3;1H
InChIKeyYVFJLTNUJRNNSY-UHFFFAOYSA-N
MW329.82 g/mol
LogP-2.45
Rot. Bonds6

About 1-morpholin-4-ium-4-ylpropan-2-yl 4-ethoxybenzoate chloride

1-morpholin-4-ium-4-ylpropan-2-yl 4-ethoxybenzoate chloride (PubChem CID 44656541) has the molecular formula C16H24ClNO4 and a molecular weight of 329.82 g/mol. Its IUPAC name is 1-morpholin-4-ium-4-ylpropan-2-yl 4-ethoxybenzoate chloride.

Molecular Properties

Compound Name1-morpholin-4-ium-4-ylpropan-2-yl 4-ethoxybenzoate chloride
PubChem CID44656541
Molecular FormulaC16H24ClNO4
Molecular Weight329.82 g/mol
Exact Mass329.14
IUPAC Name1-morpholin-4-ium-4-ylpropan-2-yl 4-ethoxybenzoate chloride
SMILESCCOc1ccc(C(=O)OC(C)C[NH+]2CCOCC2)cc1.[Cl-]
InChIInChI=1S/C16H23NO4.ClH/c1-3-20-15-6-4-14(5-7-15)16(18)21-13(2)12-17-8-10-19-11-9-17;/h4-7,13H,3,8-12H2,1-2H3;1H
InChIKeyYVFJLTNUJRNNSY-UHFFFAOYSA-N
XLogP-2.45
TPSA49.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.82
LogP ≤ 5-2.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylpiperazin-1-ium-1-yl)propan-2-yl 4-ethoxybenzoate chloride
CID 44662842
1,6-bis(4-ethoxyphenyl)-2,5-bis(morpholin-4-ium-4-ylmethyl)hexane-1,6-dione
CID 4555483
1-morpholin-4-ium-4-ylpropan-2-yl 2-(4-methoxyphenyl)acetate
CID 5204807
(4-propan-2-yloxycarbonylphenyl) 4-ethoxybenzoate
CID 17160880
[(2S)-1-morpholin-4-ium-4-ylpropan-2-yl] 2,4-dichlorobenzoate
CID 6956935
[(2S)-1-(4-methylpiperazine-1,4-diium-1-yl)propan-2-yl] benzoate
CID 6949803
(2R)-1-(4-ethoxyphenyl)-2-morpholin-4-ium-4-yl-2-phenylethanone
CID 6940851
2-[4-(2-methylbutoxy)benzoyl]oxypropyl 4-(2-methylbutoxy)benzoate
CID 19742449
(2R)-1-(4-ethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 7058452
1-morpholin-4-ylpropan-2-yl 4-methoxybenzoate chloride
CID 53352536
3-morpholin-4-ium-4-yl-1-(4-pentoxyphenyl)propan-1-one chloride
CID 44659622
3-morpholin-4-ium-4-yl-1-(4-propoxyphenyl)propan-1-one
CID 7033556

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ium-4-ylpropan-2-yl 4-ethoxybenzoate chloride?
The IUPAC name of 1-morpholin-4-ium-4-ylpropan-2-yl 4-ethoxybenzoate chloride (CID 44656541) is 1-morpholin-4-ium-4-ylpropan-2-yl 4-ethoxybenzoate chloride.
What is the SMILES notation for 1-morpholin-4-ium-4-ylpropan-2-yl 4-ethoxybenzoate chloride?
The canonical SMILES for 1-morpholin-4-ium-4-ylpropan-2-yl 4-ethoxybenzoate chloride is CCOc1ccc(C(=O)OC(C)C[NH+]2CCOCC2)cc1.[Cl-].
What is the InChIKey of 1-morpholin-4-ium-4-ylpropan-2-yl 4-ethoxybenzoate chloride?
The InChIKey is YVFJLTNUJRNNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4.ClH/c1-3-20-15-6-4-14(5-7-15)16(18)21-13(2)12-17-8-10-19-11-9-17;/h4-7,13H,3,8-12H2,1-2H3;1H.
What are the key properties of 1-morpholin-4-ium-4-ylpropan-2-yl 4-ethoxybenzoate chloride?
1-morpholin-4-ium-4-ylpropan-2-yl 4-ethoxybenzoate chloride has a molecular weight of 329.82 g/mol, XLogP of -2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ium-4-ylpropan-2-yl 4-ethoxybenzoate chloride is sourced from PubChem (CID 44656541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).