1-(4-ethoxyphenyl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone

C20H23NO3 — CID 58315606

IUPAC1-(4-ethoxyphenyl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
SMILESCCOc1ccc(C(=O)Cc2ccc([C@H]3CNCCO3)cc2)cc1
InChIInChI=1S/C20H23NO3/c1-2-23-18-9-7-16(8-10-18)19(22)13-15-3-5-17(6-4-15)20-14-21-11-12-24-20/h3-10,20-21H,2,11-14H2,1H3/t20-/m1/s1
InChIKeyBKBIPKUCGIBELL-HXUWFJFHSA-N
MW325.41 g/mol
LogP3.17
Rot. Bonds6

About 1-(4-ethoxyphenyl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone

1-(4-ethoxyphenyl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone (PubChem CID 58315606) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
PubChem CID58315606
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name1-(4-ethoxyphenyl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
SMILESCCOc1ccc(C(=O)Cc2ccc([C@H]3CNCCO3)cc2)cc1
InChIInChI=1S/C20H23NO3/c1-2-23-18-9-7-16(8-10-18)19(22)13-15-3-5-17(6-4-15)20-14-21-11-12-24-20/h3-10,20-21H,2,11-14H2,1H3/t20-/m1/s1
InChIKeyBKBIPKUCGIBELL-HXUWFJFHSA-N
XLogP3.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide
CID 67239889
1-[2-(4-ethoxyphenyl)triazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 147141774
1-(6-chloro-3-pyridinyl)-2-[4-[(2R)-morpholin-2-yl]phenyl]ethanone
CID 58315544
ethyl 4-[(2S)-morpholin-2-yl]benzoate
CID 167721608
2-(4-morpholin-2-ylphenyl)-1-(6-pyrrolidin-1-yl-3-pyridinyl)ethanone
CID 58315539
(2S)-2-[4-[(5-ethoxypyrimidin-2-yl)methyl]phenyl]morpholine
CID 161245616
(4-ethoxyphenyl)-morpholin-2-ylmethanone
CID 116561587
2-(dimethylamino)-2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(4-morpholin-2-ylphenyl)butan-1-one
CID 175078141
1-[1-(5-chloropyrimidin-2-yl)pyrazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 158287543
4-[(2R)-morpholin-2-yl]benzoic acid
CID 96582723
1-(4-chloro-2-fluorophenyl)-2-(4-morpholin-2-ylphenyl)ethanone
CID 58315805
2-(4-ethoxyphenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide;hydrochloride
CID 90047249

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone?
The IUPAC name of 1-(4-ethoxyphenyl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone (CID 58315606) is 1-(4-ethoxyphenyl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone?
The canonical SMILES for 1-(4-ethoxyphenyl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone is CCOc1ccc(C(=O)Cc2ccc([C@H]3CNCCO3)cc2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone?
The InChIKey is BKBIPKUCGIBELL-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H23NO3/c1-2-23-18-9-7-16(8-10-18)19(22)13-15-3-5-17(6-4-15)20-14-21-11-12-24-20/h3-10,20-21H,2,11-14H2,1H3/t20-/m1/s1.
What are the key properties of 1-(4-ethoxyphenyl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone?
1-(4-ethoxyphenyl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone has a molecular weight of 325.41 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone is sourced from PubChem (CID 58315606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).