2-(1-methylpyrrol-2-yl)phenol

C11H11NO — CID 22090448

IUPAC2-(1-methylpyrrol-2-yl)phenol
SMILESCn1cccc1-c1ccccc1O
InChIInChI=1S/C11H11NO/c1-12-8-4-6-10(12)9-5-2-3-7-11(9)13/h2-8,13H,1H3
InChIKeyXXTGMCVSILHEHG-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.40
Rot. Bonds1

About 2-(1-methylpyrrol-2-yl)phenol

2-(1-methylpyrrol-2-yl)phenol (PubChem CID 22090448) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-(1-methylpyrrol-2-yl)phenol.

Molecular Properties

Compound Name2-(1-methylpyrrol-2-yl)phenol
PubChem CID22090448
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name2-(1-methylpyrrol-2-yl)phenol
SMILESCn1cccc1-c1ccccc1O
InChIInChI=1S/C11H11NO/c1-12-8-4-6-10(12)9-5-2-3-7-11(9)13/h2-8,13H,1H3
InChIKeyXXTGMCVSILHEHG-UHFFFAOYSA-N
XLogP2.40
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrol-2-yl)phenol?
The IUPAC name of 2-(1-methylpyrrol-2-yl)phenol (CID 22090448) is 2-(1-methylpyrrol-2-yl)phenol.
What is the SMILES notation for 2-(1-methylpyrrol-2-yl)phenol?
The canonical SMILES for 2-(1-methylpyrrol-2-yl)phenol is Cn1cccc1-c1ccccc1O.
What is the InChIKey of 2-(1-methylpyrrol-2-yl)phenol?
The InChIKey is XXTGMCVSILHEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-12-8-4-6-10(12)9-5-2-3-7-11(9)13/h2-8,13H,1H3.
What are the key properties of 2-(1-methylpyrrol-2-yl)phenol?
2-(1-methylpyrrol-2-yl)phenol has a molecular weight of 173.21 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrol-2-yl)phenol is sourced from PubChem (CID 22090448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).