3-[4-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpropanoic acid

C22H27NO5 — CID 20993535

IUPAC3-[4-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpropanoic acid
SMILESCOc1ccc(CC(C(=O)O)c2ccccc2)c(OCCN2CCOCC2)c1
InChIInChI=1S/C22H27NO5/c1-26-19-8-7-18(15-20(22(24)25)17-5-3-2-4-6-17)21(16-19)28-14-11-23-9-12-27-13-10-23/h2-8,16,20H,9-15H2,1H3,(H,24,25)
InChIKeyHVMPINKTGUAUQH-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.82
Rot. Bonds9

About 3-[4-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpropanoic acid

3-[4-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpropanoic acid (PubChem CID 20993535) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is 3-[4-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[4-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpropanoic acid
PubChem CID20993535
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC Name3-[4-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpropanoic acid
SMILESCOc1ccc(CC(C(=O)O)c2ccccc2)c(OCCN2CCOCC2)c1
InChIInChI=1S/C22H27NO5/c1-26-19-8-7-18(15-20(22(24)25)17-5-3-2-4-6-17)21(16-19)28-14-11-23-9-12-27-13-10-23/h2-8,16,20H,9-15H2,1H3,(H,24,25)
InChIKeyHVMPINKTGUAUQH-UHFFFAOYSA-N
XLogP2.82
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-3-[2-(2-morpholin-4-ylethoxy)phenyl]propanoic acid
CID 20993638
2-(4-methoxyphenyl)-3-[4-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]propanoic acid
CID 22682509
3-[4-methoxy-2-(2-phenylethoxy)phenyl]-2-phenylpropanoic acid
CID 22683722
3-(2-hexoxy-4-methoxyphenyl)-2-phenylpropanoic acid
CID 22685773
3-(2-hydroxy-4-methoxyphenyl)-2-phenylpropanoic acid
CID 22680594
3-(2,4-dimethoxyphenyl)-2-(3-hydroxyphenyl)propanoic acid
CID 83955617
ethane;4-methoxy-1,2-dimethylbenzene;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 143832588
2-methyl-1-[2-(2-morpholin-4-ylethoxy)phenyl]propan-1-one
CID 118041363
(2S)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone
CID 30624445
potassium trifluoro-[5-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]boranuide
CID 113443476
3-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]-2-thiophen-2-ylpropanoic acid
CID 20990784
4-methoxy-2-(2-piperidin-1-ylethoxy)benzoic acid
CID 22687707

Frequently Asked Questions

What is the IUPAC name of 3-[4-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpropanoic acid?
The IUPAC name of 3-[4-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpropanoic acid (CID 20993535) is 3-[4-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[4-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpropanoic acid?
The canonical SMILES for 3-[4-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpropanoic acid is COc1ccc(CC(C(=O)O)c2ccccc2)c(OCCN2CCOCC2)c1.
What is the InChIKey of 3-[4-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpropanoic acid?
The InChIKey is HVMPINKTGUAUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO5/c1-26-19-8-7-18(15-20(22(24)25)17-5-3-2-4-6-17)21(16-19)28-14-11-23-9-12-27-13-10-23/h2-8,16,20H,9-15H2,1H3,(H,24,25).
What are the key properties of 3-[4-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpropanoic acid?
3-[4-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpropanoic acid has a molecular weight of 385.46 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpropanoic acid is sourced from PubChem (CID 20993535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).