4-[(2-fluorophenyl)methoxy]-1-propylindole-2-carboxylic acid

C19H18FNO3 — CID 24718688

IUPAC4-[(2-fluorophenyl)methoxy]-1-propylindole-2-carboxylic acid
SMILESCCCn1c(C(=O)O)cc2c(OCc3ccccc3F)cccc21
InChIInChI=1S/C19H18FNO3/c1-2-10-21-16-8-5-9-18(14(16)11-17(21)19(22)23)24-12-13-6-3-4-7-15(13)20/h3-9,11H,2,10,12H2,1H3,(H,22,23)
InChIKeyMWGBJINGVKPZPO-UHFFFAOYSA-N
MW327.36 g/mol
LogP4.47
Rot. Bonds6

About 4-[(2-fluorophenyl)methoxy]-1-propylindole-2-carboxylic acid

4-[(2-fluorophenyl)methoxy]-1-propylindole-2-carboxylic acid (PubChem CID 24718688) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methoxy]-1-propylindole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methoxy]-1-propylindole-2-carboxylic acid
PubChem CID24718688
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC Name4-[(2-fluorophenyl)methoxy]-1-propylindole-2-carboxylic acid
SMILESCCCn1c(C(=O)O)cc2c(OCc3ccccc3F)cccc21
InChIInChI=1S/C19H18FNO3/c1-2-10-21-16-8-5-9-18(14(16)11-17(21)19(22)23)24-12-13-6-3-4-7-15(13)20/h3-9,11H,2,10,12H2,1H3,(H,22,23)
InChIKeyMWGBJINGVKPZPO-UHFFFAOYSA-N
XLogP4.47
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methoxy]-1-propylindole-2-carboxylic acid?
The IUPAC name of 4-[(2-fluorophenyl)methoxy]-1-propylindole-2-carboxylic acid (CID 24718688) is 4-[(2-fluorophenyl)methoxy]-1-propylindole-2-carboxylic acid.
What is the SMILES notation for 4-[(2-fluorophenyl)methoxy]-1-propylindole-2-carboxylic acid?
The canonical SMILES for 4-[(2-fluorophenyl)methoxy]-1-propylindole-2-carboxylic acid is CCCn1c(C(=O)O)cc2c(OCc3ccccc3F)cccc21.
What is the InChIKey of 4-[(2-fluorophenyl)methoxy]-1-propylindole-2-carboxylic acid?
The InChIKey is MWGBJINGVKPZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3/c1-2-10-21-16-8-5-9-18(14(16)11-17(21)19(22)23)24-12-13-6-3-4-7-15(13)20/h3-9,11H,2,10,12H2,1H3,(H,22,23).
What are the key properties of 4-[(2-fluorophenyl)methoxy]-1-propylindole-2-carboxylic acid?
4-[(2-fluorophenyl)methoxy]-1-propylindole-2-carboxylic acid has a molecular weight of 327.36 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methoxy]-1-propylindole-2-carboxylic acid is sourced from PubChem (CID 24718688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).