3-[5-(4-fluorophenyl)-1-(3-hydroxyphenyl)pyrrol-2-yl]propanoate

C19H15FNO3- — CID 4612306

IUPAC3-[5-(4-fluorophenyl)-1-(3-hydroxyphenyl)pyrrol-2-yl]propanoate
SMILESO=C([O-])CCc1ccc(-c2ccc(F)cc2)n1-c1cccc(O)c1
InChIInChI=1S/C19H16FNO3/c20-14-6-4-13(5-7-14)18-10-8-15(9-11-19(23)24)21(18)16-2-1-3-17(22)12-16/h1-8,10,12,22H,9,11H2,(H,23,24)/p-1
InChIKeyWSPPGUWZZQSSHS-UHFFFAOYSA-M
MW324.33 g/mol
LogP2.67
Rot. Bonds5

About 3-[5-(4-fluorophenyl)-1-(3-hydroxyphenyl)pyrrol-2-yl]propanoate

3-[5-(4-fluorophenyl)-1-(3-hydroxyphenyl)pyrrol-2-yl]propanoate (PubChem CID 4612306) has the molecular formula C19H15FNO3- and a molecular weight of 324.33 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-1-(3-hydroxyphenyl)pyrrol-2-yl]propanoate.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-1-(3-hydroxyphenyl)pyrrol-2-yl]propanoate
PubChem CID4612306
Molecular FormulaC19H15FNO3-
Molecular Weight324.33 g/mol
Exact Mass324.10
IUPAC Name3-[5-(4-fluorophenyl)-1-(3-hydroxyphenyl)pyrrol-2-yl]propanoate
SMILESO=C([O-])CCc1ccc(-c2ccc(F)cc2)n1-c1cccc(O)c1
InChIInChI=1S/C19H16FNO3/c20-14-6-4-13(5-7-14)18-10-8-15(9-11-19(23)24)21(18)16-2-1-3-17(22)12-16/h1-8,10,12,22H,9,11H2,(H,23,24)/p-1
InChIKeyWSPPGUWZZQSSHS-UHFFFAOYSA-M
XLogP2.67
TPSA65.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(4-methoxyphenyl)-5-phenyl-1H-pyrrol-2-yl]propanoic acid
CID 708056
3-[1-(3-hydroxyphenyl)-5-phenyl-1H-pyrrol-2-yl]propanoic acid
CID 891973
3-[5-(4-bromophenyl)-1-(3-hydroxyphenyl)-1H-pyrrol-2-yl]propanoic acid
CID 2055853
Ethyl 3-[1-(4-hydroxyphenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoate
CID 70685293
3-[1-(4-hydroxyphenyl)-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]propanoic acid
CID 750852
3-[5-(4-bromophenyl)-1-(4-hydroxyphenyl)pyrrol-2-yl]propanoic Acid
CID 1273385
3-[1-(4-Hydroxy-phenyl)-5-p-tolyl-1H-pyrrol-2-yl]-propionic acid
CID 707529
3-[1-(3-Hydroxyphenyl)-5-(4-methylphenyl)pyrrol-2-yl]propanoic acid
CID 778235
3-{5-(4-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl}propanoic acid
CID 1260834
3-(1-(4-Hydroxyphenyl)-5-phenyl-1H-pyrrol-2-yl)propanoic acid
CID 707527
3-[1-(5-chloro-2-hydroxyphenyl)-5-(4-fluorophenyl)-1H-pyrrol-2-yl]propanoic acid
CID 1296613
1H-Pyrrole-3-acetic acid, 1-(4-fluorophenyl)-2-methyl-5-phenyl-
CID 3039306

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-1-(3-hydroxyphenyl)pyrrol-2-yl]propanoate?
The IUPAC name of 3-[5-(4-fluorophenyl)-1-(3-hydroxyphenyl)pyrrol-2-yl]propanoate (CID 4612306) is 3-[5-(4-fluorophenyl)-1-(3-hydroxyphenyl)pyrrol-2-yl]propanoate.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-1-(3-hydroxyphenyl)pyrrol-2-yl]propanoate?
The canonical SMILES for 3-[5-(4-fluorophenyl)-1-(3-hydroxyphenyl)pyrrol-2-yl]propanoate is O=C([O-])CCc1ccc(-c2ccc(F)cc2)n1-c1cccc(O)c1.
What is the InChIKey of 3-[5-(4-fluorophenyl)-1-(3-hydroxyphenyl)pyrrol-2-yl]propanoate?
The InChIKey is WSPPGUWZZQSSHS-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H16FNO3/c20-14-6-4-13(5-7-14)18-10-8-15(9-11-19(23)24)21(18)16-2-1-3-17(22)12-16/h1-8,10,12,22H,9,11H2,(H,23,24)/p-1.
What are the key properties of 3-[5-(4-fluorophenyl)-1-(3-hydroxyphenyl)pyrrol-2-yl]propanoate?
3-[5-(4-fluorophenyl)-1-(3-hydroxyphenyl)pyrrol-2-yl]propanoate has a molecular weight of 324.33 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)-1-(3-hydroxyphenyl)pyrrol-2-yl]propanoate is sourced from PubChem (CID 4612306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).