3-[4-[4-[(1S)-1-hydroxy-2-morpholin-4-ylethyl]phenyl]phenyl]propanoic acid

C21H25NO4 — CID 125445930

IUPAC3-[4-[4-[(1S)-1-hydroxy-2-morpholin-4-ylethyl]phenyl]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(-c2ccc([C@H](O)CN3CCOCC3)cc2)cc1
InChIInChI=1S/C21H25NO4/c23-20(15-22-11-13-26-14-12-22)19-8-6-18(7-9-19)17-4-1-16(2-5-17)3-10-21(24)25/h1-2,4-9,20,23H,3,10-15H2,(H,24,25)/t20-/m1/s1
InChIKeyYWAUFBSRLKZKQR-HXUWFJFHSA-N
MW355.43 g/mol
LogP2.74
Rot. Bonds7

About 3-[4-[4-[(1S)-1-hydroxy-2-morpholin-4-ylethyl]phenyl]phenyl]propanoic acid

3-[4-[4-[(1S)-1-hydroxy-2-morpholin-4-ylethyl]phenyl]phenyl]propanoic acid (PubChem CID 125445930) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is 3-[4-[4-[(1S)-1-hydroxy-2-morpholin-4-ylethyl]phenyl]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[4-[(1S)-1-hydroxy-2-morpholin-4-ylethyl]phenyl]phenyl]propanoic acid
PubChem CID125445930
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name3-[4-[4-[(1S)-1-hydroxy-2-morpholin-4-ylethyl]phenyl]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(-c2ccc([C@H](O)CN3CCOCC3)cc2)cc1
InChIInChI=1S/C21H25NO4/c23-20(15-22-11-13-26-14-12-22)19-8-6-18(7-9-19)17-4-1-16(2-5-17)3-10-21(24)25/h1-2,4-9,20,23H,3,10-15H2,(H,24,25)/t20-/m1/s1
InChIKeyYWAUFBSRLKZKQR-HXUWFJFHSA-N
XLogP2.74
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-2-morpholin-4-ylethanol
CID 3678809
(1S)-1-[4-(1-methylpyrazol-4-yl)phenyl]-2-morpholin-4-ylethanol
CID 39804559
(2S)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95322239
(2R)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95322241
1-[4-(5-methylfuran-2-yl)phenyl]-2-morpholin-4-ylethanol
CID 45250649
(1R)-2-morpholin-4-yl-1-[4-(3-propan-2-yloxyphenyl)phenyl]ethanol
CID 126434347
3-[4-(morpholine-4-carbonyl)phenyl]propanoic acid
CID 28760123
4-(1-hydroxy-2-morpholin-4-ylethyl)benzonitrile
CID 43288546
N-[4-(1-hydroxy-2-morpholin-4-ylethyl)phenyl]formamide
CID 168654163
(1S)-2-morpholin-4-yl-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanol
CID 126444747
(1S)-1-[4-(3-chloro-4-methoxyphenyl)phenyl]-2-morpholin-4-ylethanol
CID 95125897
(Z)-but-2-enedioic acid;1-(4-methylsulfonylphenyl)-2-morpholin-4-ylethanol
CID 20840402

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[(1S)-1-hydroxy-2-morpholin-4-ylethyl]phenyl]phenyl]propanoic acid?
The IUPAC name of 3-[4-[4-[(1S)-1-hydroxy-2-morpholin-4-ylethyl]phenyl]phenyl]propanoic acid (CID 125445930) is 3-[4-[4-[(1S)-1-hydroxy-2-morpholin-4-ylethyl]phenyl]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[4-[(1S)-1-hydroxy-2-morpholin-4-ylethyl]phenyl]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[4-[(1S)-1-hydroxy-2-morpholin-4-ylethyl]phenyl]phenyl]propanoic acid is O=C(O)CCc1ccc(-c2ccc([C@H](O)CN3CCOCC3)cc2)cc1.
What is the InChIKey of 3-[4-[4-[(1S)-1-hydroxy-2-morpholin-4-ylethyl]phenyl]phenyl]propanoic acid?
The InChIKey is YWAUFBSRLKZKQR-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H25NO4/c23-20(15-22-11-13-26-14-12-22)19-8-6-18(7-9-19)17-4-1-16(2-5-17)3-10-21(24)25/h1-2,4-9,20,23H,3,10-15H2,(H,24,25)/t20-/m1/s1.
What are the key properties of 3-[4-[4-[(1S)-1-hydroxy-2-morpholin-4-ylethyl]phenyl]phenyl]propanoic acid?
3-[4-[4-[(1S)-1-hydroxy-2-morpholin-4-ylethyl]phenyl]phenyl]propanoic acid has a molecular weight of 355.43 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[(1S)-1-hydroxy-2-morpholin-4-ylethyl]phenyl]phenyl]propanoic acid is sourced from PubChem (CID 125445930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).