2-methyl-3-(3-phenoxyphenoxy)pyrazine

C17H14N2O2 — CID 518376

IUPAC2-methyl-3-(3-phenoxyphenoxy)pyrazine
SMILESCc1nccnc1Oc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C17H14N2O2/c1-13-17(19-11-10-18-13)21-16-9-5-8-15(12-16)20-14-6-3-2-4-7-14/h2-12H,1H3
InChIKeyXHCRKXJKKOSJPJ-UHFFFAOYSA-N
MW278.31 g/mol
LogP4.37
Rot. Bonds4

About 2-methyl-3-(3-phenoxyphenoxy)pyrazine

2-methyl-3-(3-phenoxyphenoxy)pyrazine (PubChem CID 518376) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-methyl-3-(3-phenoxyphenoxy)pyrazine.

Molecular Properties

Compound Name2-methyl-3-(3-phenoxyphenoxy)pyrazine
PubChem CID518376
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name2-methyl-3-(3-phenoxyphenoxy)pyrazine
SMILESCc1nccnc1Oc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C17H14N2O2/c1-13-17(19-11-10-18-13)21-16-9-5-8-15(12-16)20-14-6-3-2-4-7-14/h2-12H,1H3
InChIKeyXHCRKXJKKOSJPJ-UHFFFAOYSA-N
XLogP4.37
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-iodophenoxy)-3-methylpyrazine
CID 83063242
2-ethyl-3-phenoxypyrazine
CID 141210121
1-methyl-3-phenoxybenzene;hydrochloride
CID 175116002
1-methyl-2-(3-phenoxyphenoxy)benzene
CID 91183986
3-(3-ethoxyphenoxy)pyrazin-2-amine
CID 102988136
N-methyl-2-(3-phenoxyphenoxy)pyridin-4-amine
CID 175086135
1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
CID 167430627
2-(3-methoxyphenoxy)-3-methylquinoxaline
CID 39999926
3-(3-phenoxyphenoxy)aniline
CID 68727404
N,N-dimethyl-2-phenoxypyridin-3-amine
CID 157192591
4-[3-(4-aminophenoxy)phenoxy]aniline;toluene;hydrochloride
CID 70184053
2-(2-methoxy-4-pyridinyl)-3-phenoxypyrazine
CID 141270497

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-phenoxyphenoxy)pyrazine?
The IUPAC name of 2-methyl-3-(3-phenoxyphenoxy)pyrazine (CID 518376) is 2-methyl-3-(3-phenoxyphenoxy)pyrazine.
What is the SMILES notation for 2-methyl-3-(3-phenoxyphenoxy)pyrazine?
The canonical SMILES for 2-methyl-3-(3-phenoxyphenoxy)pyrazine is Cc1nccnc1Oc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 2-methyl-3-(3-phenoxyphenoxy)pyrazine?
The InChIKey is XHCRKXJKKOSJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-13-17(19-11-10-18-13)21-16-9-5-8-15(12-16)20-14-6-3-2-4-7-14/h2-12H,1H3.
What are the key properties of 2-methyl-3-(3-phenoxyphenoxy)pyrazine?
2-methyl-3-(3-phenoxyphenoxy)pyrazine has a molecular weight of 278.31 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-phenoxyphenoxy)pyrazine is sourced from PubChem (CID 518376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).