2-hydroxy-5-(2-methyl-5-phenylpyrrol-1-yl)benzoic acid

C18H15NO3 — CID 750009

IUPAC2-hydroxy-5-(2-methyl-5-phenylpyrrol-1-yl)benzoic acid
SMILESCc1ccc(-c2ccccc2)n1-c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C18H15NO3/c1-12-7-9-16(13-5-3-2-4-6-13)19(12)14-8-10-17(20)15(11-14)18(21)22/h2-11,20H,1H3,(H,21,22)
InChIKeyCZAUFQDDVMDJBM-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.86
Rot. Bonds3

About 2-hydroxy-5-(2-methyl-5-phenylpyrrol-1-yl)benzoic acid

2-hydroxy-5-(2-methyl-5-phenylpyrrol-1-yl)benzoic acid (PubChem CID 750009) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-hydroxy-5-(2-methyl-5-phenylpyrrol-1-yl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-(2-methyl-5-phenylpyrrol-1-yl)benzoic acid
PubChem CID750009
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name2-hydroxy-5-(2-methyl-5-phenylpyrrol-1-yl)benzoic acid
SMILESCc1ccc(-c2ccccc2)n1-c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C18H15NO3/c1-12-7-9-16(13-5-3-2-4-6-13)19(12)14-8-10-17(20)15(11-14)18(21)22/h2-11,20H,1H3,(H,21,22)
InChIKeyCZAUFQDDVMDJBM-UHFFFAOYSA-N
XLogP3.86
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.86
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 2-hydroxy-5-(2-methyl-5-phenylpyrrol-1-yl)benzoic acid?
The IUPAC name of 2-hydroxy-5-(2-methyl-5-phenylpyrrol-1-yl)benzoic acid (CID 750009) is 2-hydroxy-5-(2-methyl-5-phenylpyrrol-1-yl)benzoic acid.
What is the SMILES notation for 2-hydroxy-5-(2-methyl-5-phenylpyrrol-1-yl)benzoic acid?
The canonical SMILES for 2-hydroxy-5-(2-methyl-5-phenylpyrrol-1-yl)benzoic acid is Cc1ccc(-c2ccccc2)n1-c1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 2-hydroxy-5-(2-methyl-5-phenylpyrrol-1-yl)benzoic acid?
The InChIKey is CZAUFQDDVMDJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-12-7-9-16(13-5-3-2-4-6-13)19(12)14-8-10-17(20)15(11-14)18(21)22/h2-11,20H,1H3,(H,21,22).
What are the key properties of 2-hydroxy-5-(2-methyl-5-phenylpyrrol-1-yl)benzoic acid?
2-hydroxy-5-(2-methyl-5-phenylpyrrol-1-yl)benzoic acid has a molecular weight of 293.32 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(2-methyl-5-phenylpyrrol-1-yl)benzoic acid is sourced from PubChem (CID 750009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).