2-phenoxy-1,10-phenanthroline

C18H12N2O — CID 158854039

IUPAC2-phenoxy-1,10-phenanthroline
SMILESc1ccc(Oc2ccc3ccc4cccnc4c3n2)cc1
InChIInChI=1S/C18H12N2O/c1-2-6-15(7-3-1)21-16-11-10-14-9-8-13-5-4-12-19-17(13)18(14)20-16/h1-12H
InChIKeyIZUUUQKLDCCPEH-UHFFFAOYSA-N
MW272.31 g/mol
LogP4.58
Rot. Bonds2

About 2-phenoxy-1,10-phenanthroline

2-phenoxy-1,10-phenanthroline (PubChem CID 158854039) has the molecular formula C18H12N2O and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-phenoxy-1,10-phenanthroline.

Molecular Properties

Compound Name2-phenoxy-1,10-phenanthroline
PubChem CID158854039
Molecular FormulaC18H12N2O
Molecular Weight272.31 g/mol
Exact Mass272.09
IUPAC Name2-phenoxy-1,10-phenanthroline
SMILESc1ccc(Oc2ccc3ccc4cccnc4c3n2)cc1
InChIInChI=1S/C18H12N2O/c1-2-6-15(7-3-1)21-16-11-10-14-9-8-13-5-4-12-19-17(13)18(14)20-16/h1-12H
InChIKeyIZUUUQKLDCCPEH-UHFFFAOYSA-N
XLogP4.58
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-phenoxy-1,10-phenanthroline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-Benzyloxyquinoline
CID 3035604
8-[4-[2-[4-[3-(Azepan-1-yl)propoxy]phenyl]ethyl]piperazin-1-yl]quinoline
CID 57780008
6-Methoxy-3-methyl-4-phenoxy-8-(piperazin-1-yl)quinoline
CID 59017478
2-(4-Ethoxyphenyl)quinoxaline
CID 765189
8-[4-[4-[4-[3-(Azepan-1-yl)propoxy]phenyl]butyl]piperazin-1-yl]quinoline
CID 134136763
8-[4-[3-[4-[3-(Azepan-1-yl)propoxy]phenyl]propyl]piperazin-1-yl]quinoline
CID 134139893
2-(4-Butoxyphenyl)quinoxaline
CID 1739003
4-(2-Quinoxalinyl)phenyl propionate
CID 768876
6-[3-Fluoro-5-(4-methoxy-tetrahydro-pyran-4-yl)-phenoxymethyl]-quinoxaline
CID 14985869
8-(2,6-Difluorophenyl)-4-(2-methoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium
CID 24897876
2-(2-Isoquinolin-7-yloxyethyl)quinoline
CID 24946059
8-(2-Pyridinyloxy)quinoline
CID 2815881

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1,10-phenanthroline?
The IUPAC name of 2-phenoxy-1,10-phenanthroline (CID 158854039) is 2-phenoxy-1,10-phenanthroline.
What is the SMILES notation for 2-phenoxy-1,10-phenanthroline?
The canonical SMILES for 2-phenoxy-1,10-phenanthroline is c1ccc(Oc2ccc3ccc4cccnc4c3n2)cc1.
What is the InChIKey of 2-phenoxy-1,10-phenanthroline?
The InChIKey is IZUUUQKLDCCPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O/c1-2-6-15(7-3-1)21-16-11-10-14-9-8-13-5-4-12-19-17(13)18(14)20-16/h1-12H.
What are the key properties of 2-phenoxy-1,10-phenanthroline?
2-phenoxy-1,10-phenanthroline has a molecular weight of 272.31 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1,10-phenanthroline is sourced from PubChem (CID 158854039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).