1-[4-methoxy-2-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]ethanone

C17H20N2O3 — CID 66554673

IUPAC1-[4-methoxy-2-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]ethanone
SMILESCOc1ccc(C(C)=O)c(OCc2nc(C)c(C)nc2C)c1
InChIInChI=1S/C17H20N2O3/c1-10-11(2)19-16(12(3)18-10)9-22-17-8-14(21-5)6-7-15(17)13(4)20/h6-8H,9H2,1-5H3
InChIKeyXPNUQLNUQJTNPB-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.19
Rot. Bonds5

About 1-[4-methoxy-2-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]ethanone

1-[4-methoxy-2-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]ethanone (PubChem CID 66554673) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[4-methoxy-2-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-methoxy-2-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]ethanone
PubChem CID66554673
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name1-[4-methoxy-2-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]ethanone
SMILESCOc1ccc(C(C)=O)c(OCc2nc(C)c(C)nc2C)c1
InChIInChI=1S/C17H20N2O3/c1-10-11(2)19-16(12(3)18-10)9-22-17-8-14(21-5)6-7-15(17)13(4)20/h6-8H,9H2,1-5H3
InChIKeyXPNUQLNUQJTNPB-UHFFFAOYSA-N
XLogP3.19
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2,4-bis[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 11280801
1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanone
CID 112640642
1-[2-[(2,4-dichlorophenyl)methoxy]-4-methoxyphenyl]ethanone
CID 78906437
1-[2-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 91863953
1-[4-methoxy-2-(quinolin-8-ylmethoxy)phenyl]ethanone
CID 33079900
1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-methoxyphenyl]ethanone
CID 82003080
1-(4-methoxy-2-trimethylsilyloxyphenyl)ethanone
CID 6425501
4-[(2-acetyl-5-methoxyphenoxy)methyl]benzonitrile
CID 12813703
1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-4-methoxyphenyl]ethanone
CID 82002993
1-[4-methoxy-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanone
CID 82003496
4-methoxy-2-[(3-methyl-2-pyridinyl)methoxy]benzoic acid
CID 115981695
1-[2-[(5-bromo-2-fluorophenyl)methoxy]-4-methoxyphenyl]ethanone
CID 78978251

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-2-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[4-methoxy-2-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]ethanone (CID 66554673) is 1-[4-methoxy-2-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-methoxy-2-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-methoxy-2-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]ethanone is COc1ccc(C(C)=O)c(OCc2nc(C)c(C)nc2C)c1.
What is the InChIKey of 1-[4-methoxy-2-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]ethanone?
The InChIKey is XPNUQLNUQJTNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-10-11(2)19-16(12(3)18-10)9-22-17-8-14(21-5)6-7-15(17)13(4)20/h6-8H,9H2,1-5H3.
What are the key properties of 1-[4-methoxy-2-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]ethanone?
1-[4-methoxy-2-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]ethanone has a molecular weight of 300.36 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-2-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]ethanone is sourced from PubChem (CID 66554673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).