3-(3-fluoro-4-methoxyphenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylic acid

C19H14FNO4 — CID 176564249

IUPAC3-(3-fluoro-4-methoxyphenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylic acid
SMILESCOc1ccc(-c2c(C(=O)O)[nH]c3c2COc2ccccc2-3)cc1F
InChIInChI=1S/C19H14FNO4/c1-24-15-7-6-10(8-13(15)20)16-12-9-25-14-5-3-2-4-11(14)17(12)21-18(16)19(22)23/h2-8,21H,9H2,1H3,(H,22,23)
InChIKeyWPWCPPIZKNKRPM-UHFFFAOYSA-N
MW339.32 g/mol
LogP4.09
Rot. Bonds3

About 3-(3-fluoro-4-methoxyphenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylic acid

3-(3-fluoro-4-methoxyphenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylic acid (PubChem CID 176564249) has the molecular formula C19H14FNO4 and a molecular weight of 339.32 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylic acid
PubChem CID176564249
Molecular FormulaC19H14FNO4
Molecular Weight339.32 g/mol
Exact Mass339.09
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylic acid
SMILESCOc1ccc(-c2c(C(=O)O)[nH]c3c2COc2ccccc2-3)cc1F
InChIInChI=1S/C19H14FNO4/c1-24-15-7-6-10(8-13(15)20)16-12-9-25-14-5-3-2-4-11(14)17(12)21-18(16)19(22)23/h2-8,21H,9H2,1H3,(H,22,23)
InChIKeyWPWCPPIZKNKRPM-UHFFFAOYSA-N
XLogP4.09
TPSA71.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylic acid?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylic acid (CID 176564249) is 3-(3-fluoro-4-methoxyphenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylic acid.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylic acid?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylic acid is COc1ccc(-c2c(C(=O)O)[nH]c3c2COc2ccccc2-3)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylic acid?
The InChIKey is WPWCPPIZKNKRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO4/c1-24-15-7-6-10(8-13(15)20)16-12-9-25-14-5-3-2-4-11(14)17(12)21-18(16)19(22)23/h2-8,21H,9H2,1H3,(H,22,23).
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylic acid?
3-(3-fluoro-4-methoxyphenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylic acid has a molecular weight of 339.32 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylic acid is sourced from PubChem (CID 176564249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).