4-oxo-4-(5-phenylindol-1-yl)butanoic acid

C18H15NO3 — CID 83971063

IUPAC4-oxo-4-(5-phenylindol-1-yl)butanoic acid
SMILESO=C(O)CCC(=O)n1ccc2cc(-c3ccccc3)ccc21
InChIInChI=1S/C18H15NO3/c20-17(8-9-18(21)22)19-11-10-15-12-14(6-7-16(15)19)13-4-2-1-3-5-13/h1-7,10-12H,8-9H2,(H,21,22)
InChIKeyIIJNYTJXCNWDQH-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.81
Rot. Bonds4

About 4-oxo-4-(5-phenylindol-1-yl)butanoic acid

4-oxo-4-(5-phenylindol-1-yl)butanoic acid (PubChem CID 83971063) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-oxo-4-(5-phenylindol-1-yl)butanoic acid.

Molecular Properties

Compound Name4-oxo-4-(5-phenylindol-1-yl)butanoic acid
PubChem CID83971063
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name4-oxo-4-(5-phenylindol-1-yl)butanoic acid
SMILESO=C(O)CCC(=O)n1ccc2cc(-c3ccccc3)ccc21
InChIInChI=1S/C18H15NO3/c20-17(8-9-18(21)22)19-11-10-15-12-14(6-7-16(15)19)13-4-2-1-3-5-13/h1-7,10-12H,8-9H2,(H,21,22)
InChIKeyIIJNYTJXCNWDQH-UHFFFAOYSA-N
XLogP3.81
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-indol-1-yl-4-oxobutanamide
CID 84553197
4-[(4-indol-1-yl-4-oxobutanoyl)amino]butanoic acid
CID 84556637
4-indol-1-yl-N-methyl-4-oxobutanamide
CID 84556822
4-(7-fluoroindol-1-yl)-4-oxobutanoic acid
CID 83971079
2-[(4-indol-1-yl-4-oxobutanoyl)amino]pentanoic acid
CID 84556826
1-indol-1-yl-2-phenylethanone
CID 118536016
1-indol-1-yloctadecan-1-one
CID 58661273
4-oxo-4-(2-phenylbenzimidazol-1-yl)butanoic acid
CID 5063672
2-chloro-1-(5-methylindol-1-yl)ethanone
CID 134909164
N-(3,4-dichlorophenyl)-4-indol-1-yl-4-oxobutanamide
CID 84552815
2-(5-phenyl-1-benzofuran-2-yl)acetic acid
CID 82177271
N-(2,5-dimethylphenyl)-4-indol-1-yl-4-oxobutanamide
CID 84552820

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(5-phenylindol-1-yl)butanoic acid?
The IUPAC name of 4-oxo-4-(5-phenylindol-1-yl)butanoic acid (CID 83971063) is 4-oxo-4-(5-phenylindol-1-yl)butanoic acid.
What is the SMILES notation for 4-oxo-4-(5-phenylindol-1-yl)butanoic acid?
The canonical SMILES for 4-oxo-4-(5-phenylindol-1-yl)butanoic acid is O=C(O)CCC(=O)n1ccc2cc(-c3ccccc3)ccc21.
What is the InChIKey of 4-oxo-4-(5-phenylindol-1-yl)butanoic acid?
The InChIKey is IIJNYTJXCNWDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c20-17(8-9-18(21)22)19-11-10-15-12-14(6-7-16(15)19)13-4-2-1-3-5-13/h1-7,10-12H,8-9H2,(H,21,22).
What are the key properties of 4-oxo-4-(5-phenylindol-1-yl)butanoic acid?
4-oxo-4-(5-phenylindol-1-yl)butanoic acid has a molecular weight of 293.32 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(5-phenylindol-1-yl)butanoic acid is sourced from PubChem (CID 83971063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).