2-pyrrol-1-ylphenol

C10H9NO — CID 712334

IUPAC2-pyrrol-1-ylphenol
SMILESOc1ccccc1-n1cccc1
InChIInChI=1S/C10H9NO/c12-10-6-2-1-5-9(10)11-7-3-4-8-11/h1-8,12H
InChIKeyNZABOAAWARHJSH-UHFFFAOYSA-N
MW159.19 g/mol
LogP2.18
Rot. Bonds1

About 2-pyrrol-1-ylphenol

2-pyrrol-1-ylphenol (PubChem CID 712334) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-pyrrol-1-ylphenol.

Molecular Properties

Compound Name2-pyrrol-1-ylphenol
PubChem CID712334
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name2-pyrrol-1-ylphenol
SMILESOc1ccccc1-n1cccc1
InChIInChI=1S/C10H9NO/c12-10-6-2-1-5-9(10)11-7-3-4-8-11/h1-8,12H
InChIKeyNZABOAAWARHJSH-UHFFFAOYSA-N
XLogP2.18
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrol-1-ylphenol?
The IUPAC name of 2-pyrrol-1-ylphenol (CID 712334) is 2-pyrrol-1-ylphenol.
What is the SMILES notation for 2-pyrrol-1-ylphenol?
The canonical SMILES for 2-pyrrol-1-ylphenol is Oc1ccccc1-n1cccc1.
What is the InChIKey of 2-pyrrol-1-ylphenol?
The InChIKey is NZABOAAWARHJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c12-10-6-2-1-5-9(10)11-7-3-4-8-11/h1-8,12H.
What are the key properties of 2-pyrrol-1-ylphenol?
2-pyrrol-1-ylphenol has a molecular weight of 159.19 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrol-1-ylphenol is sourced from PubChem (CID 712334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).