2-(3-fluoro-4-methoxyphenyl)-6-phenylmethoxypyrazine

C18H15FN2O2 — CID 167980981

IUPAC2-(3-fluoro-4-methoxyphenyl)-6-phenylmethoxypyrazine
SMILESCOc1ccc(-c2cncc(OCc3ccccc3)n2)cc1F
InChIInChI=1S/C18H15FN2O2/c1-22-17-8-7-14(9-15(17)19)16-10-20-11-18(21-16)23-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3
InChIKeyCDHNPXXPSGDQFH-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.87
Rot. Bonds5

About 2-(3-fluoro-4-methoxyphenyl)-6-phenylmethoxypyrazine

2-(3-fluoro-4-methoxyphenyl)-6-phenylmethoxypyrazine (PubChem CID 167980981) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-6-phenylmethoxypyrazine.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-6-phenylmethoxypyrazine
PubChem CID167980981
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-6-phenylmethoxypyrazine
SMILESCOc1ccc(-c2cncc(OCc3ccccc3)n2)cc1F
InChIInChI=1S/C18H15FN2O2/c1-22-17-8-7-14(9-15(17)19)16-10-20-11-18(21-16)23-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3
InChIKeyCDHNPXXPSGDQFH-UHFFFAOYSA-N
XLogP3.87
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,4-difluorophenyl)-6-phenylmethoxy-4-pyridinyl]methanol
CID 165437531
2-fluoro-4-(6-methoxypyrazin-2-yl)aniline
CID 139503395
2-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methoxypyrazine
CID 135293576
[6-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]methanamine
CID 83918620
2-fluoro-1-methoxy-4-(phenoxymethyl)benzene
CID 60627904
[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]methanamine
CID 82475463
4-(3-fluoro-4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole
CID 31263109
2-(4-fluorophenyl)-4-methyl-6-phenylmethoxypyrimidine
CID 95922321
2-(3-fluoro-4-methoxyphenyl)-5-propylpyridine
CID 21286189
4-(3-fluoro-4-phenylmethoxyphenyl)-1-methylpyrazol-5-amine
CID 117478888
4-[4-(4-bromophenyl)phenyl]-2-fluoro-1-phenylmethoxybenzene
CID 54061452
2-(3-fluoro-4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 126618832

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-6-phenylmethoxypyrazine?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-6-phenylmethoxypyrazine (CID 167980981) is 2-(3-fluoro-4-methoxyphenyl)-6-phenylmethoxypyrazine.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-6-phenylmethoxypyrazine?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-6-phenylmethoxypyrazine is COc1ccc(-c2cncc(OCc3ccccc3)n2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-6-phenylmethoxypyrazine?
The InChIKey is CDHNPXXPSGDQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-22-17-8-7-14(9-15(17)19)16-10-20-11-18(21-16)23-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-6-phenylmethoxypyrazine?
2-(3-fluoro-4-methoxyphenyl)-6-phenylmethoxypyrazine has a molecular weight of 310.33 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-6-phenylmethoxypyrazine is sourced from PubChem (CID 167980981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).