1-(4-ethoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-one chloride

C21H25ClNO3- — CID 53347221

IUPAC1-(4-ethoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-one chloride
SMILESCCOc1ccc(C(=O)C(CN2CCOCC2)c2ccccc2)cc1.[Cl-]
InChIInChI=1S/C21H25NO3.ClH/c1-2-25-19-10-8-18(9-11-19)21(23)20(17-6-4-3-5-7-17)16-22-12-14-24-15-13-22;/h3-11,20H,2,12-16H2,1H3;1H/p-1
InChIKeyCSPPBRFZXWPNTC-UHFFFAOYSA-M
MW374.89 g/mol
LogP0.39
Rot. Bonds7

About 1-(4-ethoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-one chloride

1-(4-ethoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-one chloride (PubChem CID 53347221) has the molecular formula C21H25ClNO3- and a molecular weight of 374.89 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-one chloride.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-one chloride
PubChem CID53347221
Molecular FormulaC21H25ClNO3-
Molecular Weight374.89 g/mol
Exact Mass374.15
IUPAC Name1-(4-ethoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-one chloride
SMILESCCOc1ccc(C(=O)C(CN2CCOCC2)c2ccccc2)cc1.[Cl-]
InChIInChI=1S/C21H25NO3.ClH/c1-2-25-19-10-8-18(9-11-19)21(23)20(17-6-4-3-5-7-17)16-22-12-14-24-15-13-22;/h3-11,20H,2,12-16H2,1H3;1H/p-1
InChIKeyCSPPBRFZXWPNTC-UHFFFAOYSA-M
XLogP0.39
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-1-(4-propoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 4209385
4-ethoxy-N-[2-[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]-2-oxoethyl]benzamide
CID 9149139
(2R)-1-(4-ethoxyphenyl)-2-morpholin-4-ium-4-yl-2-phenylethanone
CID 6940851
1-(4-methylphenyl)-3-[4-[3-(4-methylphenyl)-3-oxo-2-phenylpropyl]piperazin-1-yl]-2-phenylpropan-1-one
CID 71344000
1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-one chloride
CID 53347376
(2R,3R)-3-(4-ethoxyphenyl)-4-methyl-1-morpholin-4-yl-2-phenylpentan-3-ol
CID 29347408
(2R)-1-(4-ethoxyphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-ylpropan-1-one
CID 6922135
(2S)-2-(4-ethoxyphenyl)-2-morpholin-4-ylacetic acid
CID 27378601
3-ethoxy-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 39835171
1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol
CID 23605680
N-benzyl-2-(4-ethoxyphenyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 56500857
2-(2-methoxyphenyl)-3-morpholin-4-ylpropanoic acid
CID 82091723

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-one chloride?
The IUPAC name of 1-(4-ethoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-one chloride (CID 53347221) is 1-(4-ethoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-one chloride.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-one chloride?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-one chloride is CCOc1ccc(C(=O)C(CN2CCOCC2)c2ccccc2)cc1.[Cl-].
What is the InChIKey of 1-(4-ethoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-one chloride?
The InChIKey is CSPPBRFZXWPNTC-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H25NO3.ClH/c1-2-25-19-10-8-18(9-11-19)21(23)20(17-6-4-3-5-7-17)16-22-12-14-24-15-13-22;/h3-11,20H,2,12-16H2,1H3;1H/p-1.
What are the key properties of 1-(4-ethoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-one chloride?
1-(4-ethoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-one chloride has a molecular weight of 374.89 g/mol, XLogP of 0.39, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-one chloride is sourced from PubChem (CID 53347221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).