7-hydroxy-4H-4,7-phenanthrolin-5-ol

C12H10N2O2 — CID 19805354

IUPAC7-hydroxy-4H-4,7-phenanthrolin-5-ol
SMILESOc1cc2c(c3c1NC=CC=3)=CC=CN2O
InChIInChI=1S/C12H10N2O2/c15-11-7-10-8(4-2-6-14(10)16)9-3-1-5-13-12(9)11/h1-7,13,15-16H
InChIKeyVGGSAKYYVASWAR-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.62
Rot. Bonds

About 7-hydroxy-4H-4,7-phenanthrolin-5-ol

7-hydroxy-4H-4,7-phenanthrolin-5-ol (PubChem CID 19805354) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 7-hydroxy-4H-4,7-phenanthrolin-5-ol.

Molecular Properties

Compound Name7-hydroxy-4H-4,7-phenanthrolin-5-ol
PubChem CID19805354
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name7-hydroxy-4H-4,7-phenanthrolin-5-ol
SMILESOc1cc2c(c3c1NC=CC=3)=CC=CN2O
InChIInChI=1S/C12H10N2O2/c15-11-7-10-8(4-2-6-14(10)16)9-3-1-5-13-12(9)11/h1-7,13,15-16H
InChIKeyVGGSAKYYVASWAR-UHFFFAOYSA-N
XLogP0.62
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4H-4,7-phenanthrolin-5-ol?
The IUPAC name of 7-hydroxy-4H-4,7-phenanthrolin-5-ol (CID 19805354) is 7-hydroxy-4H-4,7-phenanthrolin-5-ol.
What is the SMILES notation for 7-hydroxy-4H-4,7-phenanthrolin-5-ol?
The canonical SMILES for 7-hydroxy-4H-4,7-phenanthrolin-5-ol is Oc1cc2c(c3c1NC=CC=3)=CC=CN2O.
What is the InChIKey of 7-hydroxy-4H-4,7-phenanthrolin-5-ol?
The InChIKey is VGGSAKYYVASWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c15-11-7-10-8(4-2-6-14(10)16)9-3-1-5-13-12(9)11/h1-7,13,15-16H.
What are the key properties of 7-hydroxy-4H-4,7-phenanthrolin-5-ol?
7-hydroxy-4H-4,7-phenanthrolin-5-ol has a molecular weight of 214.22 g/mol, XLogP of 0.62, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4H-4,7-phenanthrolin-5-ol is sourced from PubChem (CID 19805354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).