2-(2-methoxy-3,3-dimethylbutan-2-yl)-1,10-phenanthroline

C19H22N2O — CID 12994070

IUPAC2-(2-methoxy-3,3-dimethylbutan-2-yl)-1,10-phenanthroline
SMILESCOC(C)(c1ccc2ccc3cccnc3c2n1)C(C)(C)C
InChIInChI=1S/C19H22N2O/c1-18(2,3)19(4,22-5)15-11-10-14-9-8-13-7-6-12-20-16(13)17(14)21-15/h6-12H,1-5H3
InChIKeyYMDPAWJWNAMUQZ-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.69
Rot. Bonds2

About 2-(2-methoxy-3,3-dimethylbutan-2-yl)-1,10-phenanthroline

2-(2-methoxy-3,3-dimethylbutan-2-yl)-1,10-phenanthroline (PubChem CID 12994070) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-(2-methoxy-3,3-dimethylbutan-2-yl)-1,10-phenanthroline.

Molecular Properties

Compound Name2-(2-methoxy-3,3-dimethylbutan-2-yl)-1,10-phenanthroline
PubChem CID12994070
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name2-(2-methoxy-3,3-dimethylbutan-2-yl)-1,10-phenanthroline
SMILESCOC(C)(c1ccc2ccc3cccnc3c2n1)C(C)(C)C
InChIInChI=1S/C19H22N2O/c1-18(2,3)19(4,22-5)15-11-10-14-9-8-13-7-6-12-20-16(13)17(14)21-15/h6-12H,1-5H3
InChIKeyYMDPAWJWNAMUQZ-UHFFFAOYSA-N
XLogP4.69
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
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

2-[2-(1,10-phenanthrolin-2-yl)propan-2-yl]-1,10-phenanthroline
CID 139174668
bis(1,10-phenanthroline);ruthenium
CID 15001085
copper(1+);2-(trifluoromethyl)-1,10-phenanthroline
CID 175971875
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
1,10-phenanthroline;samarium
CID 174616745
osmium;tris(1,10-phenanthroline)
CID 14251798
iridium(3+);1,10-phenanthroline
CID 175702049
CID 58385596
CID 58385596
1,1-bis(1,10-phenanthrolin-2-yl)pentan-1-ol
CID 139174658
diiodo(dimethyl)stannane;1,10-phenanthroline
CID 4611650
europium;formaldehyde;2-methoxypropane;1,10-phenanthroline
CID 143959644

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-3,3-dimethylbutan-2-yl)-1,10-phenanthroline?
The IUPAC name of 2-(2-methoxy-3,3-dimethylbutan-2-yl)-1,10-phenanthroline (CID 12994070) is 2-(2-methoxy-3,3-dimethylbutan-2-yl)-1,10-phenanthroline.
What is the SMILES notation for 2-(2-methoxy-3,3-dimethylbutan-2-yl)-1,10-phenanthroline?
The canonical SMILES for 2-(2-methoxy-3,3-dimethylbutan-2-yl)-1,10-phenanthroline is COC(C)(c1ccc2ccc3cccnc3c2n1)C(C)(C)C.
What is the InChIKey of 2-(2-methoxy-3,3-dimethylbutan-2-yl)-1,10-phenanthroline?
The InChIKey is YMDPAWJWNAMUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-18(2,3)19(4,22-5)15-11-10-14-9-8-13-7-6-12-20-16(13)17(14)21-15/h6-12H,1-5H3.
What are the key properties of 2-(2-methoxy-3,3-dimethylbutan-2-yl)-1,10-phenanthroline?
2-(2-methoxy-3,3-dimethylbutan-2-yl)-1,10-phenanthroline has a molecular weight of 294.40 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-3,3-dimethylbutan-2-yl)-1,10-phenanthroline is sourced from PubChem (CID 12994070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).