2-nonyl-3-(4-phenylphenoxy)pyrazine

C25H30N2O — CID 20979288

IUPAC2-nonyl-3-(4-phenylphenoxy)pyrazine
SMILESCCCCCCCCCc1nccnc1Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H30N2O/c1-2-3-4-5-6-7-11-14-24-25(27-20-19-26-24)28-23-17-15-22(16-18-23)21-12-9-8-10-13-21/h8-10,12-13,15-20H,2-7,11,14H2,1H3
InChIKeySQLPTNYDTHAGIN-UHFFFAOYSA-N
MW374.53 g/mol
LogP7.23
Rot. Bonds11

About 2-nonyl-3-(4-phenylphenoxy)pyrazine

2-nonyl-3-(4-phenylphenoxy)pyrazine (PubChem CID 20979288) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is 2-nonyl-3-(4-phenylphenoxy)pyrazine.

Molecular Properties

Compound Name2-nonyl-3-(4-phenylphenoxy)pyrazine
PubChem CID20979288
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC Name2-nonyl-3-(4-phenylphenoxy)pyrazine
SMILESCCCCCCCCCc1nccnc1Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H30N2O/c1-2-3-4-5-6-7-11-14-24-25(27-20-19-26-24)28-23-17-15-22(16-18-23)21-12-9-8-10-13-21/h8-10,12-13,15-20H,2-7,11,14H2,1H3
InChIKeySQLPTNYDTHAGIN-UHFFFAOYSA-N
XLogP7.23
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-tert-butylphenoxy)-3-nonylpyrazine
CID 20979308
2-decyl-3-methoxypyrazine
CID 528301
2-ethyl-3-phenoxypyrazine
CID 141210121
2-pentyl-3-phenoxypyridine
CID 173046802
1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 10700210
1-pentoxy-4-phenylbenzene
CID 7021155
1,1'-biphenyl;hexadecane
CID 173308514
1-pentadecyl-4-phenylbenzene
CID 57166115
3-(4-octoxyphenyl)pyridine
CID 90176946
5-pentadecyl-2-(4-phenylphenyl)pyrimidine
CID 140591488
5-hexyl-2-(4-phenylphenyl)pyrimidine
CID 21393178
1,3,5-tris(4-phenylphenyl)-2,4,6-tris(4-tetradecylphenyl)benzene
CID 132609480

Frequently Asked Questions

What is the IUPAC name of 2-nonyl-3-(4-phenylphenoxy)pyrazine?
The IUPAC name of 2-nonyl-3-(4-phenylphenoxy)pyrazine (CID 20979288) is 2-nonyl-3-(4-phenylphenoxy)pyrazine.
What is the SMILES notation for 2-nonyl-3-(4-phenylphenoxy)pyrazine?
The canonical SMILES for 2-nonyl-3-(4-phenylphenoxy)pyrazine is CCCCCCCCCc1nccnc1Oc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-nonyl-3-(4-phenylphenoxy)pyrazine?
The InChIKey is SQLPTNYDTHAGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O/c1-2-3-4-5-6-7-11-14-24-25(27-20-19-26-24)28-23-17-15-22(16-18-23)21-12-9-8-10-13-21/h8-10,12-13,15-20H,2-7,11,14H2,1H3.
What are the key properties of 2-nonyl-3-(4-phenylphenoxy)pyrazine?
2-nonyl-3-(4-phenylphenoxy)pyrazine has a molecular weight of 374.53 g/mol, XLogP of 7.23, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonyl-3-(4-phenylphenoxy)pyrazine is sourced from PubChem (CID 20979288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).