1-[3-[4-(3-fluorophenyl)phenoxy]-2-oxopropyl]indole-5-carboxylic acid

C24H18FNO4 — CID 46868068

IUPAC1-[3-[4-(3-fluorophenyl)phenoxy]-2-oxopropyl]indole-5-carboxylic acid
SMILESO=C(COc1ccc(-c2cccc(F)c2)cc1)Cn1ccc2cc(C(=O)O)ccc21
InChIInChI=1S/C24H18FNO4/c25-20-3-1-2-17(13-20)16-4-7-22(8-5-16)30-15-21(27)14-26-11-10-18-12-19(24(28)29)6-9-23(18)26/h1-13H,14-15H2,(H,28,29)
InChIKeyPTPUPPWMHAVTHY-UHFFFAOYSA-N
MW403.41 g/mol
LogP4.79
Rot. Bonds7

About 1-[3-[4-(3-fluorophenyl)phenoxy]-2-oxopropyl]indole-5-carboxylic acid

1-[3-[4-(3-fluorophenyl)phenoxy]-2-oxopropyl]indole-5-carboxylic acid (PubChem CID 46868068) has the molecular formula C24H18FNO4 and a molecular weight of 403.41 g/mol. Its IUPAC name is 1-[3-[4-(3-fluorophenyl)phenoxy]-2-oxopropyl]indole-5-carboxylic acid.

Molecular Properties

Compound Name1-[3-[4-(3-fluorophenyl)phenoxy]-2-oxopropyl]indole-5-carboxylic acid
PubChem CID46868068
Molecular FormulaC24H18FNO4
Molecular Weight403.41 g/mol
Exact Mass403.12
IUPAC Name1-[3-[4-(3-fluorophenyl)phenoxy]-2-oxopropyl]indole-5-carboxylic acid
SMILESO=C(COc1ccc(-c2cccc(F)c2)cc1)Cn1ccc2cc(C(=O)O)ccc21
InChIInChI=1S/C24H18FNO4/c25-20-3-1-2-17(13-20)16-4-7-22(8-5-16)30-15-21(27)14-26-11-10-18-12-19(24(28)29)6-9-23(18)26/h1-13H,14-15H2,(H,28,29)
InChIKeyPTPUPPWMHAVTHY-UHFFFAOYSA-N
XLogP4.79
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(3-fluorophenyl)phenoxy]-2-oxopropyl]indole-5-carboxylic acid?
The IUPAC name of 1-[3-[4-(3-fluorophenyl)phenoxy]-2-oxopropyl]indole-5-carboxylic acid (CID 46868068) is 1-[3-[4-(3-fluorophenyl)phenoxy]-2-oxopropyl]indole-5-carboxylic acid.
What is the SMILES notation for 1-[3-[4-(3-fluorophenyl)phenoxy]-2-oxopropyl]indole-5-carboxylic acid?
The canonical SMILES for 1-[3-[4-(3-fluorophenyl)phenoxy]-2-oxopropyl]indole-5-carboxylic acid is O=C(COc1ccc(-c2cccc(F)c2)cc1)Cn1ccc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-[3-[4-(3-fluorophenyl)phenoxy]-2-oxopropyl]indole-5-carboxylic acid?
The InChIKey is PTPUPPWMHAVTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FNO4/c25-20-3-1-2-17(13-20)16-4-7-22(8-5-16)30-15-21(27)14-26-11-10-18-12-19(24(28)29)6-9-23(18)26/h1-13H,14-15H2,(H,28,29).
What are the key properties of 1-[3-[4-(3-fluorophenyl)phenoxy]-2-oxopropyl]indole-5-carboxylic acid?
1-[3-[4-(3-fluorophenyl)phenoxy]-2-oxopropyl]indole-5-carboxylic acid has a molecular weight of 403.41 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(3-fluorophenyl)phenoxy]-2-oxopropyl]indole-5-carboxylic acid is sourced from PubChem (CID 46868068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).