1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-2H-1,10-phenanthroline

C21H17F3N2O — CID 16743147

IUPAC1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-2H-1,10-phenanthroline
SMILESCOc1ccc(CN2c3c(ccc4cccnc34)C=CC2C(F)(F)F)cc1
InChIInChI=1S/C21H17F3N2O/c1-27-17-9-4-14(5-10-17)13-26-18(21(22,23)24)11-8-16-7-6-15-3-2-12-25-19(15)20(16)26/h2-12,18H,13H2,1H3
InChIKeyYJLZPQFRRBGFEI-UHFFFAOYSA-N
MW370.37 g/mol
LogP5.21
Rot. Bonds3

About 1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-2H-1,10-phenanthroline

1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-2H-1,10-phenanthroline (PubChem CID 16743147) has the molecular formula C21H17F3N2O and a molecular weight of 370.37 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-2H-1,10-phenanthroline.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-2H-1,10-phenanthroline
PubChem CID16743147
Molecular FormulaC21H17F3N2O
Molecular Weight370.37 g/mol
Exact Mass370.13
IUPAC Name1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-2H-1,10-phenanthroline
SMILESCOc1ccc(CN2c3c(ccc4cccnc34)C=CC2C(F)(F)F)cc1
InChIInChI=1S/C21H17F3N2O/c1-27-17-9-4-14(5-10-17)13-26-18(21(22,23)24)11-8-16-7-6-15-3-2-12-25-19(15)20(16)26/h2-12,18H,13H2,1H3
InChIKeyYJLZPQFRRBGFEI-UHFFFAOYSA-N
XLogP5.21
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.37
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-2H-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

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-2H-1,10-phenanthroline?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-2H-1,10-phenanthroline (CID 16743147) is 1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-2H-1,10-phenanthroline.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-2H-1,10-phenanthroline?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-2H-1,10-phenanthroline is COc1ccc(CN2c3c(ccc4cccnc34)C=CC2C(F)(F)F)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-2H-1,10-phenanthroline?
The InChIKey is YJLZPQFRRBGFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O/c1-27-17-9-4-14(5-10-17)13-26-18(21(22,23)24)11-8-16-7-6-15-3-2-12-25-19(15)20(16)26/h2-12,18H,13H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-2H-1,10-phenanthroline?
1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-2H-1,10-phenanthroline has a molecular weight of 370.37 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-2H-1,10-phenanthroline is sourced from PubChem (CID 16743147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).