8-(4-morpholin-4-ylphenyl)-8-oxooctanoic acid

C18H25NO4 — CID 68621761

IUPAC8-(4-morpholin-4-ylphenyl)-8-oxooctanoic acid
SMILESO=C(O)CCCCCCC(=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H25NO4/c20-17(5-3-1-2-4-6-18(21)22)15-7-9-16(10-8-15)19-11-13-23-14-12-19/h7-10H,1-6,11-14H2,(H,21,22)
InChIKeyAVUVMJLATQNQLD-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.13
Rot. Bonds9

About 8-(4-morpholin-4-ylphenyl)-8-oxooctanoic acid

8-(4-morpholin-4-ylphenyl)-8-oxooctanoic acid (PubChem CID 68621761) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is 8-(4-morpholin-4-ylphenyl)-8-oxooctanoic acid.

Molecular Properties

Compound Name8-(4-morpholin-4-ylphenyl)-8-oxooctanoic acid
PubChem CID68621761
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name8-(4-morpholin-4-ylphenyl)-8-oxooctanoic acid
SMILESO=C(O)CCCCCCC(=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H25NO4/c20-17(5-3-1-2-4-6-18(21)22)15-7-9-16(10-8-15)19-11-13-23-14-12-19/h7-10H,1-6,11-14H2,(H,21,22)
InChIKeyAVUVMJLATQNQLD-UHFFFAOYSA-N
XLogP3.13
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)pentan-1-one
CID 90150489
2-chloro-1-(4-morpholin-4-ylphenyl)ethanone
CID 130136658
2-(4-morpholin-4-ylphenyl)-1-phenylethanone
CID 22052973
3-(4-bromophenyl)-1-(4-morpholin-4-ylphenyl)propan-1-one
CID 91755643
2-hydroxy-1-[4-[[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazenyl]phenyl]ethanone
CID 134216761
10-[25-(9-carboxynonanoyl)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]-10-oxodecanoic acid
CID 14930644
4-morpholin-4-ylbenzenecarbothioic S-acid
CID 20689810
3-(2-hydroxy-5-morpholin-4-ylphenyl)propanoic acid
CID 117380858
1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
CID 20729332
5-(4-morpholin-4-ylphenyl)pentanamide
CID 155168497
1-(4-morpholin-4-ylphenyl)-3-(5-nitrofuran-2-yl)propan-1-one
CID 134815876
2-cyano-N-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]acetamide
CID 84580719

Frequently Asked Questions

What is the IUPAC name of 8-(4-morpholin-4-ylphenyl)-8-oxooctanoic acid?
The IUPAC name of 8-(4-morpholin-4-ylphenyl)-8-oxooctanoic acid (CID 68621761) is 8-(4-morpholin-4-ylphenyl)-8-oxooctanoic acid.
What is the SMILES notation for 8-(4-morpholin-4-ylphenyl)-8-oxooctanoic acid?
The canonical SMILES for 8-(4-morpholin-4-ylphenyl)-8-oxooctanoic acid is O=C(O)CCCCCCC(=O)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 8-(4-morpholin-4-ylphenyl)-8-oxooctanoic acid?
The InChIKey is AVUVMJLATQNQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c20-17(5-3-1-2-4-6-18(21)22)15-7-9-16(10-8-15)19-11-13-23-14-12-19/h7-10H,1-6,11-14H2,(H,21,22).
What are the key properties of 8-(4-morpholin-4-ylphenyl)-8-oxooctanoic acid?
8-(4-morpholin-4-ylphenyl)-8-oxooctanoic acid has a molecular weight of 319.40 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-morpholin-4-ylphenyl)-8-oxooctanoic acid is sourced from PubChem (CID 68621761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).