(2-hydroxy-5-pyrrol-1-ylphenyl)methanediol

C11H11NO3 — CID 54582770

IUPAC(2-hydroxy-5-pyrrol-1-ylphenyl)methanediol
SMILESOc1ccc(-n2cccc2)cc1C(O)O
InChIInChI=1S/C11H11NO3/c13-10-4-3-8(7-9(10)11(14)15)12-5-1-2-6-12/h1-7,11,13-15H
InChIKeyQLOWHSNJDYHBAL-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.17
Rot. Bonds2

About (2-hydroxy-5-pyrrol-1-ylphenyl)methanediol

(2-hydroxy-5-pyrrol-1-ylphenyl)methanediol (PubChem CID 54582770) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is (2-hydroxy-5-pyrrol-1-ylphenyl)methanediol.

Molecular Properties

Compound Name(2-hydroxy-5-pyrrol-1-ylphenyl)methanediol
PubChem CID54582770
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name(2-hydroxy-5-pyrrol-1-ylphenyl)methanediol
SMILESOc1ccc(-n2cccc2)cc1C(O)O
InChIInChI=1S/C11H11NO3/c13-10-4-3-8(7-9(10)11(14)15)12-5-1-2-6-12/h1-7,11,13-15H
InChIKeyQLOWHSNJDYHBAL-UHFFFAOYSA-N
XLogP1.17
TPSA65.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-pyrrol-1-ylphenyl)methanediol?
The IUPAC name of (2-hydroxy-5-pyrrol-1-ylphenyl)methanediol (CID 54582770) is (2-hydroxy-5-pyrrol-1-ylphenyl)methanediol.
What is the SMILES notation for (2-hydroxy-5-pyrrol-1-ylphenyl)methanediol?
The canonical SMILES for (2-hydroxy-5-pyrrol-1-ylphenyl)methanediol is Oc1ccc(-n2cccc2)cc1C(O)O.
What is the InChIKey of (2-hydroxy-5-pyrrol-1-ylphenyl)methanediol?
The InChIKey is QLOWHSNJDYHBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c13-10-4-3-8(7-9(10)11(14)15)12-5-1-2-6-12/h1-7,11,13-15H.
What are the key properties of (2-hydroxy-5-pyrrol-1-ylphenyl)methanediol?
(2-hydroxy-5-pyrrol-1-ylphenyl)methanediol has a molecular weight of 205.21 g/mol, XLogP of 1.17, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-pyrrol-1-ylphenyl)methanediol is sourced from PubChem (CID 54582770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).