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

C20H16N2O — CID 91603253

IUPAC4-[(4-methoxyphenyl)methyl]-1,10-phenanthroline
SMILESCOc1ccc(Cc2ccnc3c2ccc2cccnc23)cc1
InChIInChI=1S/C20H16N2O/c1-23-17-7-4-14(5-8-17)13-16-10-12-22-20-18(16)9-6-15-3-2-11-21-19(15)20/h2-12H,13H2,1H3
InChIKeyLQHMTGUQOIOSMS-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.38
Rot. Bonds3

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

4-[(4-methoxyphenyl)methyl]-1,10-phenanthroline (PubChem CID 91603253) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methyl]-1,10-phenanthroline.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methyl]-1,10-phenanthroline
PubChem CID91603253
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name4-[(4-methoxyphenyl)methyl]-1,10-phenanthroline
SMILESCOc1ccc(Cc2ccnc3c2ccc2cccnc23)cc1
InChIInChI=1S/C20H16N2O/c1-23-17-7-4-14(5-8-17)13-16-10-12-22-20-18(16)9-6-15-3-2-11-21-19(15)20/h2-12H,13H2,1H3
InChIKeyLQHMTGUQOIOSMS-UHFFFAOYSA-N
XLogP4.38
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.38
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 4-[(4-methoxyphenyl)methyl]-1,10-phenanthroline?
The IUPAC name of 4-[(4-methoxyphenyl)methyl]-1,10-phenanthroline (CID 91603253) is 4-[(4-methoxyphenyl)methyl]-1,10-phenanthroline.
What is the SMILES notation for 4-[(4-methoxyphenyl)methyl]-1,10-phenanthroline?
The canonical SMILES for 4-[(4-methoxyphenyl)methyl]-1,10-phenanthroline is COc1ccc(Cc2ccnc3c2ccc2cccnc23)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methyl]-1,10-phenanthroline?
The InChIKey is LQHMTGUQOIOSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c1-23-17-7-4-14(5-8-17)13-16-10-12-22-20-18(16)9-6-15-3-2-11-21-19(15)20/h2-12H,13H2,1H3.
What are the key properties of 4-[(4-methoxyphenyl)methyl]-1,10-phenanthroline?
4-[(4-methoxyphenyl)methyl]-1,10-phenanthroline has a molecular weight of 300.36 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methyl]-1,10-phenanthroline is sourced from PubChem (CID 91603253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).