1,10-phenanthroline-5,6-diol

C12H8N2O2 — CID 135514554

IUPAC1,10-phenanthroline-5,6-diol
SMILESOc1c(O)c2cccnc2c2ncccc12
InChIInChI=1S/C12H8N2O2/c15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10/h1-6,15-16H
InChIKeyJDVMJFIBTWIYJX-UHFFFAOYSA-N
MW212.21 g/mol
LogP2.19
Rot. Bonds

About 1,10-phenanthroline-5,6-diol

1,10-phenanthroline-5,6-diol (PubChem CID 135514554) has the molecular formula C12H8N2O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 1,10-phenanthroline-5,6-diol.

Molecular Properties

Compound Name1,10-phenanthroline-5,6-diol
PubChem CID135514554
Molecular FormulaC12H8N2O2
Molecular Weight212.21 g/mol
Exact Mass212.06
IUPAC Name1,10-phenanthroline-5,6-diol
SMILESOc1c(O)c2cccnc2c2ncccc12
InChIInChI=1S/C12H8N2O2/c15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10/h1-6,15-16H
InChIKeyJDVMJFIBTWIYJX-UHFFFAOYSA-N
XLogP2.19
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,10-phenanthroline-5,6-diol?
The IUPAC name of 1,10-phenanthroline-5,6-diol (CID 135514554) is 1,10-phenanthroline-5,6-diol.
What is the SMILES notation for 1,10-phenanthroline-5,6-diol?
The canonical SMILES for 1,10-phenanthroline-5,6-diol is Oc1c(O)c2cccnc2c2ncccc12.
What is the InChIKey of 1,10-phenanthroline-5,6-diol?
The InChIKey is JDVMJFIBTWIYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2/c15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10/h1-6,15-16H.
What are the key properties of 1,10-phenanthroline-5,6-diol?
1,10-phenanthroline-5,6-diol has a molecular weight of 212.21 g/mol, XLogP of 2.19, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-phenanthroline-5,6-diol is sourced from PubChem (CID 135514554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).