6-[2-(3-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxylic acid

C21H21NO4 — CID 159769323

IUPAC6-[2-(3-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxylic acid
SMILESO=C(O)c1cc2ccc(CCc3cccc(N4CCOCC4)c3)cc2o1
InChIInChI=1S/C21H21NO4/c23-21(24)20-14-17-7-6-16(13-19(17)26-20)5-4-15-2-1-3-18(12-15)22-8-10-25-11-9-22/h1-3,6-7,12-14H,4-5,8-11H2,(H,23,24)
InChIKeyNFXISRKEXQAIOH-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.75
Rot. Bonds5

About 6-[2-(3-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxylic acid

6-[2-(3-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxylic acid (PubChem CID 159769323) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is 6-[2-(3-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-(3-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxylic acid
PubChem CID159769323
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name6-[2-(3-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxylic acid
SMILESO=C(O)c1cc2ccc(CCc3cccc(N4CCOCC4)c3)cc2o1
InChIInChI=1S/C21H21NO4/c23-21(24)20-14-17-7-6-16(13-19(17)26-20)5-4-15-2-1-3-18(12-15)22-8-10-25-11-9-22/h1-3,6-7,12-14H,4-5,8-11H2,(H,23,24)
InChIKeyNFXISRKEXQAIOH-UHFFFAOYSA-N
XLogP3.75
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(3-morpholin-4-ylphenyl)ethyl]phenyl]acetohydrazide;dihydrochloride
CID 67030157
2-(3-morpholin-4-ylphenyl)ethanol
CID 11788996
4-[3-[2-(4-methylphenyl)ethyl]phenyl]morpholine
CID 59545940
N'-benzyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891636
7-morpholin-4-yl-2-oxochromene-3-carboxylic acid
CID 3469110
1-(3-morpholin-4-ylphenyl)propan-2-amine
CID 117314833
1-(1-benzofuran-2-yl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 14509719
2,5-dimethyl-1-[(3-morpholin-4-ylphenyl)methyl]pyrrole-3-carboxylic acid
CID 118871352
N-ethyl-N-[(3-morpholin-4-ylphenyl)methyl]acetamide
CID 144965173
(4-morpholin-4-ylphenyl)methylurea
CID 142276122
4-morpholin-4-yl-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109206585
3-amino-3-(3-morpholin-4-ylphenyl)propanoic acid
CID 117379221

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxylic acid?
The IUPAC name of 6-[2-(3-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxylic acid (CID 159769323) is 6-[2-(3-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 6-[2-(3-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 6-[2-(3-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxylic acid is O=C(O)c1cc2ccc(CCc3cccc(N4CCOCC4)c3)cc2o1.
What is the InChIKey of 6-[2-(3-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxylic acid?
The InChIKey is NFXISRKEXQAIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c23-21(24)20-14-17-7-6-16(13-19(17)26-20)5-4-15-2-1-3-18(12-15)22-8-10-25-11-9-22/h1-3,6-7,12-14H,4-5,8-11H2,(H,23,24).
What are the key properties of 6-[2-(3-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxylic acid?
6-[2-(3-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxylic acid has a molecular weight of 351.40 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 159769323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).