2-(2-pyrrol-1-ylphenyl)propan-2-ol

C13H15NO — CID 84820702

IUPAC2-(2-pyrrol-1-ylphenyl)propan-2-ol
SMILESCC(C)(O)c1ccccc1-n1cccc1
InChIInChI=1S/C13H15NO/c1-13(2,15)11-7-3-4-8-12(11)14-9-5-6-10-14/h3-10,15H,1-2H3
InChIKeyNXNJFSIGPCDPOZ-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.70
Rot. Bonds2

About 2-(2-pyrrol-1-ylphenyl)propan-2-ol

2-(2-pyrrol-1-ylphenyl)propan-2-ol (PubChem CID 84820702) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(2-pyrrol-1-ylphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(2-pyrrol-1-ylphenyl)propan-2-ol
PubChem CID84820702
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name2-(2-pyrrol-1-ylphenyl)propan-2-ol
SMILESCC(C)(O)c1ccccc1-n1cccc1
InChIInChI=1S/C13H15NO/c1-13(2,15)11-7-3-4-8-12(11)14-9-5-6-10-14/h3-10,15H,1-2H3
InChIKeyNXNJFSIGPCDPOZ-UHFFFAOYSA-N
XLogP2.70
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrol-1-ylphenyl)propan-2-ol?
The IUPAC name of 2-(2-pyrrol-1-ylphenyl)propan-2-ol (CID 84820702) is 2-(2-pyrrol-1-ylphenyl)propan-2-ol.
What is the SMILES notation for 2-(2-pyrrol-1-ylphenyl)propan-2-ol?
The canonical SMILES for 2-(2-pyrrol-1-ylphenyl)propan-2-ol is CC(C)(O)c1ccccc1-n1cccc1.
What is the InChIKey of 2-(2-pyrrol-1-ylphenyl)propan-2-ol?
The InChIKey is NXNJFSIGPCDPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-13(2,15)11-7-3-4-8-12(11)14-9-5-6-10-14/h3-10,15H,1-2H3.
What are the key properties of 2-(2-pyrrol-1-ylphenyl)propan-2-ol?
2-(2-pyrrol-1-ylphenyl)propan-2-ol has a molecular weight of 201.27 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrol-1-ylphenyl)propan-2-ol is sourced from PubChem (CID 84820702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).