(5-phenyl-3H-pyrrol-2-yl)methanol

C11H11NO — CID 58804564

IUPAC(5-phenyl-3H-pyrrol-2-yl)methanol
SMILESOCC1=NC(c2ccccc2)=CC1
InChIInChI=1S/C11H11NO/c13-8-10-6-7-11(12-10)9-4-2-1-3-5-9/h1-5,7,13H,6,8H2
InChIKeyUUXXYARVCJTKOT-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.86
Rot. Bonds2

About (5-phenyl-3H-pyrrol-2-yl)methanol

(5-phenyl-3H-pyrrol-2-yl)methanol (PubChem CID 58804564) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is (5-phenyl-3H-pyrrol-2-yl)methanol.

Molecular Properties

Compound Name(5-phenyl-3H-pyrrol-2-yl)methanol
PubChem CID58804564
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name(5-phenyl-3H-pyrrol-2-yl)methanol
SMILESOCC1=NC(c2ccccc2)=CC1
InChIInChI=1S/C11H11NO/c13-8-10-6-7-11(12-10)9-4-2-1-3-5-9/h1-5,7,13H,6,8H2
InChIKeyUUXXYARVCJTKOT-UHFFFAOYSA-N
XLogP1.86
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-phenyl-3H-pyrrol-2-yl)methanol?
The IUPAC name of (5-phenyl-3H-pyrrol-2-yl)methanol (CID 58804564) is (5-phenyl-3H-pyrrol-2-yl)methanol.
What is the SMILES notation for (5-phenyl-3H-pyrrol-2-yl)methanol?
The canonical SMILES for (5-phenyl-3H-pyrrol-2-yl)methanol is OCC1=NC(c2ccccc2)=CC1.
What is the InChIKey of (5-phenyl-3H-pyrrol-2-yl)methanol?
The InChIKey is UUXXYARVCJTKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c13-8-10-6-7-11(12-10)9-4-2-1-3-5-9/h1-5,7,13H,6,8H2.
What are the key properties of (5-phenyl-3H-pyrrol-2-yl)methanol?
(5-phenyl-3H-pyrrol-2-yl)methanol has a molecular weight of 173.22 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-3H-pyrrol-2-yl)methanol is sourced from PubChem (CID 58804564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).