2-[(2-tert-butyl-4-methylphenoxy)methyl]-5-chloropyrazine

C16H19ClN2O — CID 103054684

IUPAC2-[(2-tert-butyl-4-methylphenoxy)methyl]-5-chloropyrazine
SMILESCc1ccc(OCc2cnc(Cl)cn2)c(C(C)(C)C)c1
InChIInChI=1S/C16H19ClN2O/c1-11-5-6-14(13(7-11)16(2,3)4)20-10-12-8-19-15(17)9-18-12/h5-9H,10H2,1-4H3
InChIKeyOLCFZPJTAUYEFN-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.31
Rot. Bonds3

About 2-[(2-tert-butyl-4-methylphenoxy)methyl]-5-chloropyrazine

2-[(2-tert-butyl-4-methylphenoxy)methyl]-5-chloropyrazine (PubChem CID 103054684) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 2-[(2-tert-butyl-4-methylphenoxy)methyl]-5-chloropyrazine.

Molecular Properties

Compound Name2-[(2-tert-butyl-4-methylphenoxy)methyl]-5-chloropyrazine
PubChem CID103054684
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name2-[(2-tert-butyl-4-methylphenoxy)methyl]-5-chloropyrazine
SMILESCc1ccc(OCc2cnc(Cl)cn2)c(C(C)(C)C)c1
InChIInChI=1S/C16H19ClN2O/c1-11-5-6-14(13(7-11)16(2,3)4)20-10-12-8-19-15(17)9-18-12/h5-9H,10H2,1-4H3
InChIKeyOLCFZPJTAUYEFN-UHFFFAOYSA-N
XLogP4.31
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[(2-fluoro-5-methylphenoxy)methyl]pyrazine
CID 103054875
[4-[(2-tert-butyl-4-methylphenoxy)methyl]phenyl]methanamine
CID 22688671
[2-[(2-tert-butyl-4-methylphenoxy)methyl]-4-pyridinyl]hydrazine
CID 79262186
5-[(2-tert-butyl-5-methylphenoxy)methyl]-N-methylpyrazin-2-amine
CID 103057883
2-chloro-5-[(2,3-difluoro-4-methylsulfonylphenoxy)methyl]pyrazine
CID 89258439
5-[(2-chloro-4-methylphenoxy)methyl]-N-ethylpyrazin-2-amine
CID 103059015
2-chloro-5-[(2-fluorophenoxy)methyl]pyrazine
CID 103054699
2-chloro-5-[(2,5-dichlorophenoxy)methyl]pyrazine
CID 103054688
[5-[(2-tert-butyl-4-methylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 62244490
2-(2-tert-butyl-4-methylphenoxy)-5-chloro-3-fluoropyridine
CID 79727805
2-chloro-5-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyrazine
CID 103054885
4-[(5-chloropyrazin-2-yl)methoxy]-3-methoxybenzonitrile
CID 103054689

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butyl-4-methylphenoxy)methyl]-5-chloropyrazine?
The IUPAC name of 2-[(2-tert-butyl-4-methylphenoxy)methyl]-5-chloropyrazine (CID 103054684) is 2-[(2-tert-butyl-4-methylphenoxy)methyl]-5-chloropyrazine.
What is the SMILES notation for 2-[(2-tert-butyl-4-methylphenoxy)methyl]-5-chloropyrazine?
The canonical SMILES for 2-[(2-tert-butyl-4-methylphenoxy)methyl]-5-chloropyrazine is Cc1ccc(OCc2cnc(Cl)cn2)c(C(C)(C)C)c1.
What is the InChIKey of 2-[(2-tert-butyl-4-methylphenoxy)methyl]-5-chloropyrazine?
The InChIKey is OLCFZPJTAUYEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-11-5-6-14(13(7-11)16(2,3)4)20-10-12-8-19-15(17)9-18-12/h5-9H,10H2,1-4H3.
What are the key properties of 2-[(2-tert-butyl-4-methylphenoxy)methyl]-5-chloropyrazine?
2-[(2-tert-butyl-4-methylphenoxy)methyl]-5-chloropyrazine has a molecular weight of 290.79 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butyl-4-methylphenoxy)methyl]-5-chloropyrazine is sourced from PubChem (CID 103054684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).