3-phenyl-1H-pyrrole-2,5-diol

C10H9NO2 — CID 54197759

IUPAC3-phenyl-1H-pyrrole-2,5-diol
SMILESOc1cc(-c2ccccc2)c(O)[nH]1
InChIInChI=1S/C10H9NO2/c12-9-6-8(10(13)11-9)7-4-2-1-3-5-7/h1-6,11-13H
InChIKeyPNAZGNYOAYJDED-UHFFFAOYSA-N
MW175.19 g/mol
LogP2.09
Rot. Bonds1

About 3-phenyl-1H-pyrrole-2,5-diol

3-phenyl-1H-pyrrole-2,5-diol (PubChem CID 54197759) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 3-phenyl-1H-pyrrole-2,5-diol.

Molecular Properties

Compound Name3-phenyl-1H-pyrrole-2,5-diol
PubChem CID54197759
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name3-phenyl-1H-pyrrole-2,5-diol
SMILESOc1cc(-c2ccccc2)c(O)[nH]1
InChIInChI=1S/C10H9NO2/c12-9-6-8(10(13)11-9)7-4-2-1-3-5-7/h1-6,11-13H
InChIKeyPNAZGNYOAYJDED-UHFFFAOYSA-N
XLogP2.09
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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3-[(1Z,2E)-2-(Hydroxyimino)cyclohexylidene]-2,3-dihydro-1H-indol-2-one
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CID 750071
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1H-Indol-2-ol
CID 65531
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3-[(allylamino)methylene]-1,3-dihydro-2H-indol-2-one
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3-Phenylhydroxy-indole
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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1H-pyrrole-2,5-diol?
The IUPAC name of 3-phenyl-1H-pyrrole-2,5-diol (CID 54197759) is 3-phenyl-1H-pyrrole-2,5-diol.
What is the SMILES notation for 3-phenyl-1H-pyrrole-2,5-diol?
The canonical SMILES for 3-phenyl-1H-pyrrole-2,5-diol is Oc1cc(-c2ccccc2)c(O)[nH]1.
What is the InChIKey of 3-phenyl-1H-pyrrole-2,5-diol?
The InChIKey is PNAZGNYOAYJDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c12-9-6-8(10(13)11-9)7-4-2-1-3-5-7/h1-6,11-13H.
What are the key properties of 3-phenyl-1H-pyrrole-2,5-diol?
3-phenyl-1H-pyrrole-2,5-diol has a molecular weight of 175.19 g/mol, XLogP of 2.09, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1H-pyrrole-2,5-diol is sourced from PubChem (CID 54197759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).