4-[(4-methoxyphenyl)methyl]-7-methyl-1,10-phenanthroline

C21H18N2O — CID 91137148

IUPAC4-[(4-methoxyphenyl)methyl]-7-methyl-1,10-phenanthroline
SMILESCOc1ccc(Cc2ccnc3c2ccc2c(C)ccnc23)cc1
InChIInChI=1S/C21H18N2O/c1-14-9-11-22-20-18(14)7-8-19-16(10-12-23-21(19)20)13-15-3-5-17(24-2)6-4-15/h3-12H,13H2,1-2H3
InChIKeyNWVLTYIQJPCEKH-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.69
Rot. Bonds3

About 4-[(4-methoxyphenyl)methyl]-7-methyl-1,10-phenanthroline

4-[(4-methoxyphenyl)methyl]-7-methyl-1,10-phenanthroline (PubChem CID 91137148) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methyl]-7-methyl-1,10-phenanthroline.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methyl]-7-methyl-1,10-phenanthroline
PubChem CID91137148
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name4-[(4-methoxyphenyl)methyl]-7-methyl-1,10-phenanthroline
SMILESCOc1ccc(Cc2ccnc3c2ccc2c(C)ccnc23)cc1
InChIInChI=1S/C21H18N2O/c1-14-9-11-22-20-18(14)7-8-19-16(10-12-23-21(19)20)13-15-3-5-17(24-2)6-4-15/h3-12H,13H2,1-2H3
InChIKeyNWVLTYIQJPCEKH-UHFFFAOYSA-N
XLogP4.69
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.69
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

4-[(4-methoxyphenyl)methyl]-2-methylpyridin-3-ol
CID 67303817
4-(4-methoxyphenyl)-7-[2-[4-[2-[7-(4-methoxyphenyl)-1,10-phenanthrolin-4-yl]ethyl]phenyl]ethyl]-1,10-phenanthroline
CID 12056020
8-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinoline
CID 91664973
4-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylbenzene
CID 15654338
6,8-dimethoxy-4-methylbenzo[h]quinoline
CID 11807182
3-[4-[(7-methoxyquinolin-4-yl)methyl]anilino]propan-1-ol
CID 142073498
ethane;1-[(4-methoxyphenyl)methyl]-2,4-dimethylbenzene
CID 143200250
1,2,3,4-tetrakis[(4-methoxyphenyl)methyl]benzene
CID 175327763
3-bromo-2-[(4-methoxyphenyl)methoxy]-4-methylpyridine
CID 67000104
4-benzyl-7-phenyl-1,10-phenanthroline
CID 142216618
2-[(4-methoxyphenyl)methyl]-4,5-dimethylpyridine
CID 11172203
8-(7-methyl-1,10-phenanthrolin-4-yl)octanoic acid
CID 121355497

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methyl]-7-methyl-1,10-phenanthroline?
The IUPAC name of 4-[(4-methoxyphenyl)methyl]-7-methyl-1,10-phenanthroline (CID 91137148) is 4-[(4-methoxyphenyl)methyl]-7-methyl-1,10-phenanthroline.
What is the SMILES notation for 4-[(4-methoxyphenyl)methyl]-7-methyl-1,10-phenanthroline?
The canonical SMILES for 4-[(4-methoxyphenyl)methyl]-7-methyl-1,10-phenanthroline is COc1ccc(Cc2ccnc3c2ccc2c(C)ccnc23)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methyl]-7-methyl-1,10-phenanthroline?
The InChIKey is NWVLTYIQJPCEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c1-14-9-11-22-20-18(14)7-8-19-16(10-12-23-21(19)20)13-15-3-5-17(24-2)6-4-15/h3-12H,13H2,1-2H3.
What are the key properties of 4-[(4-methoxyphenyl)methyl]-7-methyl-1,10-phenanthroline?
4-[(4-methoxyphenyl)methyl]-7-methyl-1,10-phenanthroline has a molecular weight of 314.39 g/mol, XLogP of 4.69, 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]-7-methyl-1,10-phenanthroline is sourced from PubChem (CID 91137148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).