4,7-dimethylidene-1,10-phenanthroline-5,6-diol

C14H10N2O2 — CID 136611126

IUPAC4,7-dimethylidene-1,10-phenanthroline-5,6-diol
SMILESC=c1ccnc2c1c(O)c(O)c1c(=C)ccnc12
InChIInChI=1S/C14H10N2O2/c1-7-3-5-15-11-9(7)13(17)14(18)10-8(2)4-6-16-12(10)11/h3-6,17-18H,1-2H2
InChIKeyYXIHTCLPEKLHRX-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.01
Rot. Bonds

About 4,7-dimethylidene-1,10-phenanthroline-5,6-diol

4,7-dimethylidene-1,10-phenanthroline-5,6-diol (PubChem CID 136611126) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 4,7-dimethylidene-1,10-phenanthroline-5,6-diol.

Molecular Properties

Compound Name4,7-dimethylidene-1,10-phenanthroline-5,6-diol
PubChem CID136611126
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name4,7-dimethylidene-1,10-phenanthroline-5,6-diol
SMILESC=c1ccnc2c1c(O)c(O)c1c(=C)ccnc12
InChIInChI=1S/C14H10N2O2/c1-7-3-5-15-11-9(7)13(17)14(18)10-8(2)4-6-16-12(10)11/h3-6,17-18H,1-2H2
InChIKeyYXIHTCLPEKLHRX-UHFFFAOYSA-N
XLogP1.01
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.01
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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Related Compounds

10-Azatricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaen-4-ol
CID 22065877
3,8-Dimethyl-4,7-dimethylidene-1,10-phenanthroline-5,6-diol
CID 137132073

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethylidene-1,10-phenanthroline-5,6-diol?
The IUPAC name of 4,7-dimethylidene-1,10-phenanthroline-5,6-diol (CID 136611126) is 4,7-dimethylidene-1,10-phenanthroline-5,6-diol.
What is the SMILES notation for 4,7-dimethylidene-1,10-phenanthroline-5,6-diol?
The canonical SMILES for 4,7-dimethylidene-1,10-phenanthroline-5,6-diol is C=c1ccnc2c1c(O)c(O)c1c(=C)ccnc12.
What is the InChIKey of 4,7-dimethylidene-1,10-phenanthroline-5,6-diol?
The InChIKey is YXIHTCLPEKLHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c1-7-3-5-15-11-9(7)13(17)14(18)10-8(2)4-6-16-12(10)11/h3-6,17-18H,1-2H2.
What are the key properties of 4,7-dimethylidene-1,10-phenanthroline-5,6-diol?
4,7-dimethylidene-1,10-phenanthroline-5,6-diol has a molecular weight of 238.25 g/mol, XLogP of 1.01, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethylidene-1,10-phenanthroline-5,6-diol is sourced from PubChem (CID 136611126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).