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

C22H17NO3 — CID 118709993

IUPAC2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]acetic acid
SMILESO=C(O)Cn1c(-c2ccccc2)cc(-c2ccccc2)c1-c1ccco1
InChIInChI=1S/C22H17NO3/c24-21(25)15-23-19(17-10-5-2-6-11-17)14-18(16-8-3-1-4-9-16)22(23)20-12-7-13-26-20/h1-14H,15H2,(H,24,25)
InChIKeyHDZQMMIXBZWFIC-UHFFFAOYSA-N
MW343.38 g/mol
LogP5.17
Rot. Bonds5

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

2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]acetic acid (PubChem CID 118709993) has the molecular formula C22H17NO3 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]acetic acid
PubChem CID118709993
Molecular FormulaC22H17NO3
Molecular Weight343.38 g/mol
Exact Mass343.12
IUPAC Name2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]acetic acid
SMILESO=C(O)Cn1c(-c2ccccc2)cc(-c2ccccc2)c1-c1ccco1
InChIInChI=1S/C22H17NO3/c24-21(25)15-23-19(17-10-5-2-6-11-17)14-18(16-8-3-1-4-9-16)22(23)20-12-7-13-26-20/h1-14H,15H2,(H,24,25)
InChIKeyHDZQMMIXBZWFIC-UHFFFAOYSA-N
XLogP5.17
TPSA55.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.38
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]acetic acid?
The IUPAC name of 2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]acetic acid (CID 118709993) is 2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]acetic acid?
The canonical SMILES for 2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]acetic acid is O=C(O)Cn1c(-c2ccccc2)cc(-c2ccccc2)c1-c1ccco1.
What is the InChIKey of 2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]acetic acid?
The InChIKey is HDZQMMIXBZWFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO3/c24-21(25)15-23-19(17-10-5-2-6-11-17)14-18(16-8-3-1-4-9-16)22(23)20-12-7-13-26-20/h1-14H,15H2,(H,24,25).
What are the key properties of 2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]acetic acid?
2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]acetic acid has a molecular weight of 343.38 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)-3,5-diphenylpyrrol-1-yl]acetic acid is sourced from PubChem (CID 118709993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).