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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Related Compounds

2-(4-Methoxy-phenyl)-3-phenyl-quinoxaline
CID 687304
2,3-Di(4-methoxyphenyl)quinoxaline
CID 81660
1-Benzyl-6-methoxy-4-methylquinolinium chloride
CID 2834440
6-Methoxy-3-pyridin-4-yl-quinoline
CID 10354094
7-Methoxy-3-pyridin-4-yl-quinoline
CID 11776270
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-2-methylquinoline
CID 12004197
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-3-methylquinoline
CID 12004199
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-4-methylquinoline
CID 12004200
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-2,4-dimethylquinoline
CID 12004201
6-Methoxy-8-{4-[1-(8-quinolinyl)-4-piperidinyl]-1-piperazinyl}quinoline
CID 16091081
8-[4-[2-[4-[3-(Azepan-1-yl)propoxy]phenyl]ethyl]piperazin-1-yl]quinoline
CID 57780008
2-(4-Ethoxyphenyl)quinoxaline
CID 765189

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).