5-methoxy-1,7-phenanthroline

C13H10N2O — CID 67576947

IUPAC5-methoxy-1,7-phenanthroline
SMILESCOc1cc2ncccc2c2ncccc12
InChIInChI=1S/C13H10N2O/c1-16-12-8-11-9(4-2-6-14-11)13-10(12)5-3-7-15-13/h2-8H,1H3
InChIKeyZLBSLDOWAZXULR-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.79
Rot. Bonds1

About 5-methoxy-1,7-phenanthroline

5-methoxy-1,7-phenanthroline (PubChem CID 67576947) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 5-methoxy-1,7-phenanthroline.

Molecular Properties

Compound Name5-methoxy-1,7-phenanthroline
PubChem CID67576947
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name5-methoxy-1,7-phenanthroline
SMILESCOc1cc2ncccc2c2ncccc12
InChIInChI=1S/C13H10N2O/c1-16-12-8-11-9(4-2-6-14-11)13-10(12)5-3-7-15-13/h2-8H,1H3
InChIKeyZLBSLDOWAZXULR-UHFFFAOYSA-N
XLogP2.79
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

CID 88936748
CID 88936748
methane;4,6,7-trimethoxyquinoline
CID 157066291
11,12-dimethoxyquinoxalino[2,3-f][1,10]phenanthroline;bis(1,10-phenanthroline);ruthenium(2+)
CID 139247806
8-(chloromethyl)-5-methoxyquinoline
CID 66754973
2-(3,4,5-trimethoxyphenyl)pyrido[3,2-f]quinoxaline
CID 129033436
6-methoxy-4-methylbenzo[h]quinoline
CID 11009579
N-(5-methoxyquinolin-8-yl)formamide
CID 886460
propan-2-yl 5-methoxyquinoline-8-carboxylate
CID 67977903
8-methoxyquinoline-5-sulfonyl fluoride
CID 165461293
5-ethyl-7-methoxyquinoline
CID 173249228
8-methoxy-N,N-dimethylquinolin-5-amine
CID 67991214
5,7-dibromo-8-methoxyquinoline
CID 10805403

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1,7-phenanthroline?
The IUPAC name of 5-methoxy-1,7-phenanthroline (CID 67576947) is 5-methoxy-1,7-phenanthroline.
What is the SMILES notation for 5-methoxy-1,7-phenanthroline?
The canonical SMILES for 5-methoxy-1,7-phenanthroline is COc1cc2ncccc2c2ncccc12.
What is the InChIKey of 5-methoxy-1,7-phenanthroline?
The InChIKey is ZLBSLDOWAZXULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c1-16-12-8-11-9(4-2-6-14-11)13-10(12)5-3-7-15-13/h2-8H,1H3.
What are the key properties of 5-methoxy-1,7-phenanthroline?
5-methoxy-1,7-phenanthroline has a molecular weight of 210.24 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,7-phenanthroline is sourced from PubChem (CID 67576947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).