1-(4-hydroxyphenyl)-2-phenylpyrrole-3-carboxylic acid

C17H13NO3 — CID 82362678

IUPAC1-(4-hydroxyphenyl)-2-phenylpyrrole-3-carboxylic acid
SMILESO=C(O)c1ccn(-c2ccc(O)cc2)c1-c1ccccc1
InChIInChI=1S/C17H13NO3/c19-14-8-6-13(7-9-14)18-11-10-15(17(20)21)16(18)12-4-2-1-3-5-12/h1-11,19H,(H,20,21)
InChIKeyXCVHJRMITYZYSU-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.55
Rot. Bonds3

About 1-(4-hydroxyphenyl)-2-phenylpyrrole-3-carboxylic acid

1-(4-hydroxyphenyl)-2-phenylpyrrole-3-carboxylic acid (PubChem CID 82362678) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-2-phenylpyrrole-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-2-phenylpyrrole-3-carboxylic acid
PubChem CID82362678
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name1-(4-hydroxyphenyl)-2-phenylpyrrole-3-carboxylic acid
SMILESO=C(O)c1ccn(-c2ccc(O)cc2)c1-c1ccccc1
InChIInChI=1S/C17H13NO3/c19-14-8-6-13(7-9-14)18-11-10-15(17(20)21)16(18)12-4-2-1-3-5-12/h1-11,19H,(H,20,21)
InChIKeyXCVHJRMITYZYSU-UHFFFAOYSA-N
XLogP3.55
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-2-phenylpyrrole-3-carboxylic acid
CID 77231600
1-(2-chlorophenyl)-2-phenylpyrrole-3-carboxylic acid
CID 82362681
1,2-diphenylpyrrole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 174947147
benzene-1,4-diol;bis(1,1'-biphenyl)
CID 161250566
1-(4-hydroxyphenyl)-6-methyl-4-oxopyridine-3-carboxylic acid
CID 14027756
benzene-1,4-diol;benzoic acid
CID 67019242
[4-(4-hydroxyphenyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 8779428
3-(4-hydroxyphenyl)-2-methoxybenzoic acid
CID 53224993
benzene;1,1'-biphenyl;phenol
CID 159528072
4-aminophenol;2-hydroxybenzoic acid
CID 69191673
acetyl chloride;4-phenylphenol
CID 174878083
bis(benzene-1,4-diol);carbonic acid
CID 68999082

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-2-phenylpyrrole-3-carboxylic acid?
The IUPAC name of 1-(4-hydroxyphenyl)-2-phenylpyrrole-3-carboxylic acid (CID 82362678) is 1-(4-hydroxyphenyl)-2-phenylpyrrole-3-carboxylic acid.
What is the SMILES notation for 1-(4-hydroxyphenyl)-2-phenylpyrrole-3-carboxylic acid?
The canonical SMILES for 1-(4-hydroxyphenyl)-2-phenylpyrrole-3-carboxylic acid is O=C(O)c1ccn(-c2ccc(O)cc2)c1-c1ccccc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-2-phenylpyrrole-3-carboxylic acid?
The InChIKey is XCVHJRMITYZYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c19-14-8-6-13(7-9-14)18-11-10-15(17(20)21)16(18)12-4-2-1-3-5-12/h1-11,19H,(H,20,21).
What are the key properties of 1-(4-hydroxyphenyl)-2-phenylpyrrole-3-carboxylic acid?
1-(4-hydroxyphenyl)-2-phenylpyrrole-3-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-2-phenylpyrrole-3-carboxylic acid is sourced from PubChem (CID 82362678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).