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

C24H19NO5 — CID 46868337

IUPAC1-[2-oxo-3-(4-phenoxyphenoxy)propyl]indole-5-carboxylic acid
SMILESO=C(COc1ccc(Oc2ccccc2)cc1)Cn1ccc2cc(C(=O)O)ccc21
InChIInChI=1S/C24H19NO5/c26-19(15-25-13-12-17-14-18(24(27)28)6-11-23(17)25)16-29-20-7-9-22(10-8-20)30-21-4-2-1-3-5-21/h1-14H,15-16H2,(H,27,28)
InChIKeyLWRJSJXIQFXIPB-UHFFFAOYSA-N
MW401.42 g/mol
LogP4.78
Rot. Bonds8

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

1-[2-oxo-3-(4-phenoxyphenoxy)propyl]indole-5-carboxylic acid (PubChem CID 46868337) has the molecular formula C24H19NO5 and a molecular weight of 401.42 g/mol. Its IUPAC name is 1-[2-oxo-3-(4-phenoxyphenoxy)propyl]indole-5-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-3-(4-phenoxyphenoxy)propyl]indole-5-carboxylic acid
PubChem CID46868337
Molecular FormulaC24H19NO5
Molecular Weight401.42 g/mol
Exact Mass401.13
IUPAC Name1-[2-oxo-3-(4-phenoxyphenoxy)propyl]indole-5-carboxylic acid
SMILESO=C(COc1ccc(Oc2ccccc2)cc1)Cn1ccc2cc(C(=O)O)ccc21
InChIInChI=1S/C24H19NO5/c26-19(15-25-13-12-17-14-18(24(27)28)6-11-23(17)25)16-29-20-7-9-22(10-8-20)30-21-4-2-1-3-5-21/h1-14H,15-16H2,(H,27,28)
InChIKeyLWRJSJXIQFXIPB-UHFFFAOYSA-N
XLogP4.78
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-3-(4-phenoxyphenoxy)propyl]indole-5-carboxylic acid?
The IUPAC name of 1-[2-oxo-3-(4-phenoxyphenoxy)propyl]indole-5-carboxylic acid (CID 46868337) is 1-[2-oxo-3-(4-phenoxyphenoxy)propyl]indole-5-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-3-(4-phenoxyphenoxy)propyl]indole-5-carboxylic acid?
The canonical SMILES for 1-[2-oxo-3-(4-phenoxyphenoxy)propyl]indole-5-carboxylic acid is O=C(COc1ccc(Oc2ccccc2)cc1)Cn1ccc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-[2-oxo-3-(4-phenoxyphenoxy)propyl]indole-5-carboxylic acid?
The InChIKey is LWRJSJXIQFXIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO5/c26-19(15-25-13-12-17-14-18(24(27)28)6-11-23(17)25)16-29-20-7-9-22(10-8-20)30-21-4-2-1-3-5-21/h1-14H,15-16H2,(H,27,28).
What are the key properties of 1-[2-oxo-3-(4-phenoxyphenoxy)propyl]indole-5-carboxylic acid?
1-[2-oxo-3-(4-phenoxyphenoxy)propyl]indole-5-carboxylic acid has a molecular weight of 401.42 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-3-(4-phenoxyphenoxy)propyl]indole-5-carboxylic acid is sourced from PubChem (CID 46868337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).