3-(4-fluorophenyl)-7-propan-2-yl-1H-indole-2-carboxylic acid

C18H16FNO2 — CID 129187441

IUPAC3-(4-fluorophenyl)-7-propan-2-yl-1H-indole-2-carboxylic acid
SMILESCC(C)c1cccc2c(-c3ccc(F)cc3)c(C(=O)O)[nH]c12
InChIInChI=1S/C18H16FNO2/c1-10(2)13-4-3-5-14-15(11-6-8-12(19)9-7-11)17(18(21)22)20-16(13)14/h3-10,20H,1-2H3,(H,21,22)
InChIKeyACUDWRQJEQRBMS-UHFFFAOYSA-N
MW297.33 g/mol
LogP4.80
Rot. Bonds3

About 3-(4-fluorophenyl)-7-propan-2-yl-1H-indole-2-carboxylic acid

3-(4-fluorophenyl)-7-propan-2-yl-1H-indole-2-carboxylic acid (PubChem CID 129187441) has the molecular formula C18H16FNO2 and a molecular weight of 297.33 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-7-propan-2-yl-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-7-propan-2-yl-1H-indole-2-carboxylic acid
PubChem CID129187441
Molecular FormulaC18H16FNO2
Molecular Weight297.33 g/mol
Exact Mass297.12
IUPAC Name3-(4-fluorophenyl)-7-propan-2-yl-1H-indole-2-carboxylic acid
SMILESCC(C)c1cccc2c(-c3ccc(F)cc3)c(C(=O)O)[nH]c12
InChIInChI=1S/C18H16FNO2/c1-10(2)13-4-3-5-14-15(11-6-8-12(19)9-7-11)17(18(21)22)20-16(13)14/h3-10,20H,1-2H3,(H,21,22)
InChIKeyACUDWRQJEQRBMS-UHFFFAOYSA-N
XLogP4.80
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-7-propan-2-yl-1H-indole-2-carboxylic acid?
The IUPAC name of 3-(4-fluorophenyl)-7-propan-2-yl-1H-indole-2-carboxylic acid (CID 129187441) is 3-(4-fluorophenyl)-7-propan-2-yl-1H-indole-2-carboxylic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-7-propan-2-yl-1H-indole-2-carboxylic acid?
The canonical SMILES for 3-(4-fluorophenyl)-7-propan-2-yl-1H-indole-2-carboxylic acid is CC(C)c1cccc2c(-c3ccc(F)cc3)c(C(=O)O)[nH]c12.
What is the InChIKey of 3-(4-fluorophenyl)-7-propan-2-yl-1H-indole-2-carboxylic acid?
The InChIKey is ACUDWRQJEQRBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO2/c1-10(2)13-4-3-5-14-15(11-6-8-12(19)9-7-11)17(18(21)22)20-16(13)14/h3-10,20H,1-2H3,(H,21,22).
What are the key properties of 3-(4-fluorophenyl)-7-propan-2-yl-1H-indole-2-carboxylic acid?
3-(4-fluorophenyl)-7-propan-2-yl-1H-indole-2-carboxylic acid has a molecular weight of 297.33 g/mol, XLogP of 4.80, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-7-propan-2-yl-1H-indole-2-carboxylic acid is sourced from PubChem (CID 129187441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).