2-(2-methylphenoxy)-1,10-phenanthroline

C19H14N2O — CID 166438332

IUPAC2-(2-methylphenoxy)-1,10-phenanthroline
SMILESCc1ccccc1Oc1ccc2ccc3cccnc3c2n1
InChIInChI=1S/C19H14N2O/c1-13-5-2-3-7-16(13)22-17-11-10-15-9-8-14-6-4-12-20-18(14)19(15)21-17/h2-12H,1H3
InChIKeyNCZWGQWCOFXGNT-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.88
Rot. Bonds2

About 2-(2-methylphenoxy)-1,10-phenanthroline

2-(2-methylphenoxy)-1,10-phenanthroline (PubChem CID 166438332) has the molecular formula C19H14N2O and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-1,10-phenanthroline.

Molecular Properties

Compound Name2-(2-methylphenoxy)-1,10-phenanthroline
PubChem CID166438332
Molecular FormulaC19H14N2O
Molecular Weight286.33 g/mol
Exact Mass286.11
IUPAC Name2-(2-methylphenoxy)-1,10-phenanthroline
SMILESCc1ccccc1Oc1ccc2ccc3cccnc3c2n1
InChIInChI=1S/C19H14N2O/c1-13-5-2-3-7-16(13)22-17-11-10-15-9-8-14-6-4-12-20-18(14)19(15)21-17/h2-12H,1H3
InChIKeyNCZWGQWCOFXGNT-UHFFFAOYSA-N
XLogP4.88
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.88
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-1,10-phenanthroline?
The IUPAC name of 2-(2-methylphenoxy)-1,10-phenanthroline (CID 166438332) is 2-(2-methylphenoxy)-1,10-phenanthroline.
What is the SMILES notation for 2-(2-methylphenoxy)-1,10-phenanthroline?
The canonical SMILES for 2-(2-methylphenoxy)-1,10-phenanthroline is Cc1ccccc1Oc1ccc2ccc3cccnc3c2n1.
What is the InChIKey of 2-(2-methylphenoxy)-1,10-phenanthroline?
The InChIKey is NCZWGQWCOFXGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O/c1-13-5-2-3-7-16(13)22-17-11-10-15-9-8-14-6-4-12-20-18(14)19(15)21-17/h2-12H,1H3.
What are the key properties of 2-(2-methylphenoxy)-1,10-phenanthroline?
2-(2-methylphenoxy)-1,10-phenanthroline has a molecular weight of 286.33 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-1,10-phenanthroline is sourced from PubChem (CID 166438332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).