3-[1-(4-hydroxyphenyl)-5-phenylpyrrol-2-yl]propanoic acid

C19H17NO3 — CID 707527

IUPAC3-[1-(4-hydroxyphenyl)-5-phenylpyrrol-2-yl]propanoic acid
SMILESO=C(O)CCc1ccc(-c2ccccc2)n1-c1ccc(O)cc1
InChIInChI=1S/C19H17NO3/c21-17-10-6-15(7-11-17)20-16(9-13-19(22)23)8-12-18(20)14-4-2-1-3-5-14/h1-8,10-12,21H,9,13H2,(H,22,23)
InChIKeyASVSBHMGHOYCLN-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.87
Rot. Bonds5

About 3-[1-(4-hydroxyphenyl)-5-phenylpyrrol-2-yl]propanoic acid

3-[1-(4-hydroxyphenyl)-5-phenylpyrrol-2-yl]propanoic acid (PubChem CID 707527) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-[1-(4-hydroxyphenyl)-5-phenylpyrrol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(4-hydroxyphenyl)-5-phenylpyrrol-2-yl]propanoic acid
PubChem CID707527
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name3-[1-(4-hydroxyphenyl)-5-phenylpyrrol-2-yl]propanoic acid
SMILESO=C(O)CCc1ccc(-c2ccccc2)n1-c1ccc(O)cc1
InChIInChI=1S/C19H17NO3/c21-17-10-6-15(7-11-17)20-16(9-13-19(22)23)8-12-18(20)14-4-2-1-3-5-14/h1-8,10-12,21H,9,13H2,(H,22,23)
InChIKeyASVSBHMGHOYCLN-UHFFFAOYSA-N
XLogP3.87
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-hydroxyphenyl)-5-phenylpyrrol-2-yl]propanoic acid?
The IUPAC name of 3-[1-(4-hydroxyphenyl)-5-phenylpyrrol-2-yl]propanoic acid (CID 707527) is 3-[1-(4-hydroxyphenyl)-5-phenylpyrrol-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(4-hydroxyphenyl)-5-phenylpyrrol-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(4-hydroxyphenyl)-5-phenylpyrrol-2-yl]propanoic acid is O=C(O)CCc1ccc(-c2ccccc2)n1-c1ccc(O)cc1.
What is the InChIKey of 3-[1-(4-hydroxyphenyl)-5-phenylpyrrol-2-yl]propanoic acid?
The InChIKey is ASVSBHMGHOYCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c21-17-10-6-15(7-11-17)20-16(9-13-19(22)23)8-12-18(20)14-4-2-1-3-5-14/h1-8,10-12,21H,9,13H2,(H,22,23).
What are the key properties of 3-[1-(4-hydroxyphenyl)-5-phenylpyrrol-2-yl]propanoic acid?
3-[1-(4-hydroxyphenyl)-5-phenylpyrrol-2-yl]propanoic acid has a molecular weight of 307.35 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-hydroxyphenyl)-5-phenylpyrrol-2-yl]propanoic acid is sourced from PubChem (CID 707527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).