phenyl(pyrrol-1-yl)methanol

C11H11NO — CID 11378781

IUPACphenyl(pyrrol-1-yl)methanol
SMILESOC(c1ccccc1)n1cccc1
InChIInChI=1S/C11H11NO/c13-11(12-8-4-5-9-12)10-6-2-1-3-7-10/h1-9,11,13H
InChIKeyBDOOLCOABHFFSB-UHFFFAOYSA-N
MW173.22 g/mol
LogP2.03
Rot. Bonds2

About phenyl(pyrrol-1-yl)methanol

phenyl(pyrrol-1-yl)methanol (PubChem CID 11378781) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is phenyl(pyrrol-1-yl)methanol.

Molecular Properties

Compound Namephenyl(pyrrol-1-yl)methanol
PubChem CID11378781
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Namephenyl(pyrrol-1-yl)methanol
SMILESOC(c1ccccc1)n1cccc1
InChIInChI=1S/C11H11NO/c13-11(12-8-4-5-9-12)10-6-2-1-3-7-10/h1-9,11,13H
InChIKeyBDOOLCOABHFFSB-UHFFFAOYSA-N
XLogP2.03
TPSA25.16 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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenyl(pyrrol-1-yl)methanol?
The IUPAC name of phenyl(pyrrol-1-yl)methanol (CID 11378781) is phenyl(pyrrol-1-yl)methanol.
What is the SMILES notation for phenyl(pyrrol-1-yl)methanol?
The canonical SMILES for phenyl(pyrrol-1-yl)methanol is OC(c1ccccc1)n1cccc1.
What is the InChIKey of phenyl(pyrrol-1-yl)methanol?
The InChIKey is BDOOLCOABHFFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c13-11(12-8-4-5-9-12)10-6-2-1-3-7-10/h1-9,11,13H.
What are the key properties of phenyl(pyrrol-1-yl)methanol?
phenyl(pyrrol-1-yl)methanol has a molecular weight of 173.22 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(pyrrol-1-yl)methanol is sourced from PubChem (CID 11378781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).