1-[2-oxo-3-(4-phenylphenoxy)propyl]indole-5-carboxylic acid

C24H19NO4 — CID 46867931

IUPAC1-[2-oxo-3-(4-phenylphenoxy)propyl]indole-5-carboxylic acid
SMILESO=C(COc1ccc(-c2ccccc2)cc1)Cn1ccc2cc(C(=O)O)ccc21
InChIInChI=1S/C24H19NO4/c26-21(15-25-13-12-19-14-20(24(27)28)8-11-23(19)25)16-29-22-9-6-18(7-10-22)17-4-2-1-3-5-17/h1-14H,15-16H2,(H,27,28)
InChIKeyGHZASUVVFCHGIC-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.65
Rot. Bonds7

About 1-[2-oxo-3-(4-phenylphenoxy)propyl]indole-5-carboxylic acid

1-[2-oxo-3-(4-phenylphenoxy)propyl]indole-5-carboxylic acid (PubChem CID 46867931) has the molecular formula C24H19NO4 and a molecular weight of 385.42 g/mol. Its IUPAC name is 1-[2-oxo-3-(4-phenylphenoxy)propyl]indole-5-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-3-(4-phenylphenoxy)propyl]indole-5-carboxylic acid
PubChem CID46867931
Molecular FormulaC24H19NO4
Molecular Weight385.42 g/mol
Exact Mass385.13
IUPAC Name1-[2-oxo-3-(4-phenylphenoxy)propyl]indole-5-carboxylic acid
SMILESO=C(COc1ccc(-c2ccccc2)cc1)Cn1ccc2cc(C(=O)O)ccc21
InChIInChI=1S/C24H19NO4/c26-21(15-25-13-12-19-14-20(24(27)28)8-11-23(19)25)16-29-22-9-6-18(7-10-22)17-4-2-1-3-5-17/h1-14H,15-16H2,(H,27,28)
InChIKeyGHZASUVVFCHGIC-UHFFFAOYSA-N
XLogP4.65
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-3-(4-phenylphenoxy)propyl]indole-5-carboxylic acid?
The IUPAC name of 1-[2-oxo-3-(4-phenylphenoxy)propyl]indole-5-carboxylic acid (CID 46867931) is 1-[2-oxo-3-(4-phenylphenoxy)propyl]indole-5-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-3-(4-phenylphenoxy)propyl]indole-5-carboxylic acid?
The canonical SMILES for 1-[2-oxo-3-(4-phenylphenoxy)propyl]indole-5-carboxylic acid is O=C(COc1ccc(-c2ccccc2)cc1)Cn1ccc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-[2-oxo-3-(4-phenylphenoxy)propyl]indole-5-carboxylic acid?
The InChIKey is GHZASUVVFCHGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO4/c26-21(15-25-13-12-19-14-20(24(27)28)8-11-23(19)25)16-29-22-9-6-18(7-10-22)17-4-2-1-3-5-17/h1-14H,15-16H2,(H,27,28).
What are the key properties of 1-[2-oxo-3-(4-phenylphenoxy)propyl]indole-5-carboxylic acid?
1-[2-oxo-3-(4-phenylphenoxy)propyl]indole-5-carboxylic acid has a molecular weight of 385.42 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-3-(4-phenylphenoxy)propyl]indole-5-carboxylic acid is sourced from PubChem (CID 46867931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).