(4-pyrrol-1-ylphenyl)methanol

C11H11NO — CID 599478

IUPAC(4-pyrrol-1-ylphenyl)methanol
SMILESOCc1ccc(-n2cccc2)cc1
InChIInChI=1S/C11H11NO/c13-9-10-3-5-11(6-4-10)12-7-1-2-8-12/h1-8,13H,9H2
InChIKeyLQQQPLUFBVYLRE-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.97
Rot. Bonds2

About (4-pyrrol-1-ylphenyl)methanol

(4-pyrrol-1-ylphenyl)methanol (PubChem CID 599478) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is (4-pyrrol-1-ylphenyl)methanol.

Molecular Properties

Compound Name(4-pyrrol-1-ylphenyl)methanol
PubChem CID599478
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name(4-pyrrol-1-ylphenyl)methanol
SMILESOCc1ccc(-n2cccc2)cc1
InChIInChI=1S/C11H11NO/c13-9-10-3-5-11(6-4-10)12-7-1-2-8-12/h1-8,13H,9H2
InChIKeyLQQQPLUFBVYLRE-UHFFFAOYSA-N
XLogP1.97
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-pyrrol-1-ylphenyl)methanol?
The IUPAC name of (4-pyrrol-1-ylphenyl)methanol (CID 599478) is (4-pyrrol-1-ylphenyl)methanol.
What is the SMILES notation for (4-pyrrol-1-ylphenyl)methanol?
The canonical SMILES for (4-pyrrol-1-ylphenyl)methanol is OCc1ccc(-n2cccc2)cc1.
What is the InChIKey of (4-pyrrol-1-ylphenyl)methanol?
The InChIKey is LQQQPLUFBVYLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c13-9-10-3-5-11(6-4-10)12-7-1-2-8-12/h1-8,13H,9H2.
What are the key properties of (4-pyrrol-1-ylphenyl)methanol?
(4-pyrrol-1-ylphenyl)methanol has a molecular weight of 173.21 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrrol-1-ylphenyl)methanol is sourced from PubChem (CID 599478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).