2-[2,3-bis(furan-2-yl)-5-phenylpyrrol-1-yl]acetic acid

C20H15NO4 — CID 118709996

IUPAC2-[2,3-bis(furan-2-yl)-5-phenylpyrrol-1-yl]acetic acid
SMILESO=C(O)Cn1c(-c2ccccc2)cc(-c2ccco2)c1-c1ccco1
InChIInChI=1S/C20H15NO4/c22-19(23)13-21-16(14-6-2-1-3-7-14)12-15(17-8-4-10-24-17)20(21)18-9-5-11-25-18/h1-12H,13H2,(H,22,23)
InChIKeyAPCDQBQBYNGIDS-UHFFFAOYSA-N
MW333.34 g/mol
LogP4.76
Rot. Bonds5

About 2-[2,3-bis(furan-2-yl)-5-phenylpyrrol-1-yl]acetic acid

2-[2,3-bis(furan-2-yl)-5-phenylpyrrol-1-yl]acetic acid (PubChem CID 118709996) has the molecular formula C20H15NO4 and a molecular weight of 333.34 g/mol. Its IUPAC name is 2-[2,3-bis(furan-2-yl)-5-phenylpyrrol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2,3-bis(furan-2-yl)-5-phenylpyrrol-1-yl]acetic acid
PubChem CID118709996
Molecular FormulaC20H15NO4
Molecular Weight333.34 g/mol
Exact Mass333.10
IUPAC Name2-[2,3-bis(furan-2-yl)-5-phenylpyrrol-1-yl]acetic acid
SMILESO=C(O)Cn1c(-c2ccccc2)cc(-c2ccco2)c1-c1ccco1
InChIInChI=1S/C20H15NO4/c22-19(23)13-21-16(14-6-2-1-3-7-14)12-15(17-8-4-10-24-17)20(21)18-9-5-11-25-18/h1-12H,13H2,(H,22,23)
InChIKeyAPCDQBQBYNGIDS-UHFFFAOYSA-N
XLogP4.76
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(furan-2-yl)-1-(2-morpholin-4-ylethyl)-5-phenylpyrrol-3-yl]benzoic acid
CID 16752212
2-[2-(furan-2-yl)-5-methylpyrrol-1-yl]acetic acid
CID 83701220
2-[5-(furan-2-yl)-1,3-diphenylpyrazol-4-yl]acetic acid
CID 555892
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(furan-2-yl)-5-naphthalen-2-yl-3-phenylpyrrol-1-yl]acetamide
CID 118710018
2-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)acetic acid
CID 134097284
ethyl 2-[2-(furan-2-yl)-4,5-diphenylimidazol-1-yl]acetate
CID 2816996
4-[2-(furan-2-yl)-1-methyl-5-pyridin-4-ylpyrrol-3-yl]benzoic acid
CID 16752177
4-(carboxymethyl)-3-(furan-2-yl)benzoic acid
CID 67569971
2-[3-(furan-2-yl)-2-methyl-6-oxopyrazin-1-yl]acetic acid
CID 91000148
3-(benzenesulfonamido)-4-(furan-2-yl)benzoic acid
CID 167245137
2-[6-(furan-2-yl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 82062327
2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetic acid
CID 10447200

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-bis(furan-2-yl)-5-phenylpyrrol-1-yl]acetic acid?
The IUPAC name of 2-[2,3-bis(furan-2-yl)-5-phenylpyrrol-1-yl]acetic acid (CID 118709996) is 2-[2,3-bis(furan-2-yl)-5-phenylpyrrol-1-yl]acetic acid.
What is the SMILES notation for 2-[2,3-bis(furan-2-yl)-5-phenylpyrrol-1-yl]acetic acid?
The canonical SMILES for 2-[2,3-bis(furan-2-yl)-5-phenylpyrrol-1-yl]acetic acid is O=C(O)Cn1c(-c2ccccc2)cc(-c2ccco2)c1-c1ccco1.
What is the InChIKey of 2-[2,3-bis(furan-2-yl)-5-phenylpyrrol-1-yl]acetic acid?
The InChIKey is APCDQBQBYNGIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO4/c22-19(23)13-21-16(14-6-2-1-3-7-14)12-15(17-8-4-10-24-17)20(21)18-9-5-11-25-18/h1-12H,13H2,(H,22,23).
What are the key properties of 2-[2,3-bis(furan-2-yl)-5-phenylpyrrol-1-yl]acetic acid?
2-[2,3-bis(furan-2-yl)-5-phenylpyrrol-1-yl]acetic acid has a molecular weight of 333.34 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-bis(furan-2-yl)-5-phenylpyrrol-1-yl]acetic acid is sourced from PubChem (CID 118709996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).