2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyrazine;bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyridine);2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyrazine;bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine);2-[(4-tert-butyl-2-methylphenoxy)methyl]-6-methylpyridine;2-[(4-tert-butyl-2-methylphenoxy)methyl]pyridine;dihydrate

C132H160Cl6N10O10 — CID 158801222

IUPAC2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyrazine;bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyridine);2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyrazine;bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine);2-[(4-tert-butyl-2-methylphenoxy)methyl]-6-methylpyridine;2-[(4-tert-butyl-2-methylphenoxy)methyl]pyridine;dihydrate
SMILESCC(C)(C)c1ccc(OCc2ccccn2)c(Cl)c1.CC(C)(C)c1ccc(OCc2ccccn2)c(Cl)c1.CC(C)(C)c1ccc(OCc2cnccn2)c(Cl)c1.Cc1cc(C(C)(C)C)ccc1OCc1ccccn1.Cc1cccc(COc2ccc(C(C)(C)C)cc2C)n1.Cc1cccc(COc2ccc(C(C)(C)C)cc2Cl)n1.Cc1cccc(COc2ccc(C(C)(C)C)cc2Cl)n1.Cc1cncc(COc2ccc(C(C)(C)C)cc2Cl)n1.O.O
InChIInChI=1S/C18H23NO.2C17H20ClNO.C17H21NO.C16H19ClN2O.2C16H18ClNO.C15H17ClN2O.2H2O/c1-13-11-15(18(3,4)5)9-10-17(13)20-12-16-8-6-7-14(2)19-16;2*1-12-6-5-7-14(19-12)11-20-16-9-8-13(10-15(16)18)17(2,3)4;1-13-11-14(17(2,3)4)8-9-16(13)19-12-15-7-5-6-10-18-15;1-11-8-18-9-13(19-11)10-20-15-6-5-12(7-14(15)17)16(2,3)4;2*1-16(2,3)12-7-8-15(14(17)10-12)19-11-13-6-4-5-9-18-13;1-15(2,3)11-4-5-14(13(16)8-11)19-10-12-9-17-6-7-18-12;;/h6-11H,12H2,1-5H3;2*5-10H,11H2,1-4H3;5-11H,12H2,1-4H3;5-9H,10H2,1-4H3;2*4-10H,11H2,1-3H3;4-9H,10H2,1-3H3;2*1H2
InChIKeyVDCDWKBJHXRPSE-UHFFFAOYSA-N
MW2259.51 g/mol
LogP34.58
Rot. Bonds24

About 2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyrazine;bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyridine);2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyrazine;bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine);2-[(4-tert-butyl-2-methylphenoxy)methyl]-6-methylpyridine;2-[(4-tert-butyl-2-methylphenoxy)methyl]pyridine;dihydrate

2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyrazine;bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyridine);2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyrazine;bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine);2-[(4-tert-butyl-2-methylphenoxy)methyl]-6-methylpyridine;2-[(4-tert-butyl-2-methylphenoxy)methyl]pyridine;dihydrate (PubChem CID 158801222) has the molecular formula C132H160Cl6N10O10 and a molecular weight of 2259.51 g/mol. Its IUPAC name is 2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyrazine;bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyridine);2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyrazine;bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine);2-[(4-tert-butyl-2-methylphenoxy)methyl]-6-methylpyridine;2-[(4-tert-butyl-2-methylphenoxy)methyl]pyridine;dihydrate.

Molecular Properties

Compound Name2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyrazine;bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyridine);2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyrazine;bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine);2-[(4-tert-butyl-2-methylphenoxy)methyl]-6-methylpyridine;2-[(4-tert-butyl-2-methylphenoxy)methyl]pyridine;dihydrate
PubChem CID158801222
Molecular FormulaC132H160Cl6N10O10
Molecular Weight2259.51 g/mol
Exact Mass2255.05
IUPAC Name2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyrazine;bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyridine);2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyrazine;bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine);2-[(4-tert-butyl-2-methylphenoxy)methyl]-6-methylpyridine;2-[(4-tert-butyl-2-methylphenoxy)methyl]pyridine;dihydrate
SMILESCC(C)(C)c1ccc(OCc2ccccn2)c(Cl)c1.CC(C)(C)c1ccc(OCc2ccccn2)c(Cl)c1.CC(C)(C)c1ccc(OCc2cnccn2)c(Cl)c1.Cc1cc(C(C)(C)C)ccc1OCc1ccccn1.Cc1cccc(COc2ccc(C(C)(C)C)cc2C)n1.Cc1cccc(COc2ccc(C(C)(C)C)cc2Cl)n1.Cc1cccc(COc2ccc(C(C)(C)C)cc2Cl)n1.Cc1cncc(COc2ccc(C(C)(C)C)cc2Cl)n1.O.O
InChIInChI=1S/C18H23NO.2C17H20ClNO.C17H21NO.C16H19ClN2O.2C16H18ClNO.C15H17ClN2O.2H2O/c1-13-11-15(18(3,4)5)9-10-17(13)20-12-16-8-6-7-14(2)19-16;2*1-12-6-5-7-14(19-12)11-20-16-9-8-13(10-15(16)18)17(2,3)4;1-13-11-14(17(2,3)4)8-9-16(13)19-12-15-7-5-6-10-18-15;1-11-8-18-9-13(19-11)10-20-15-6-5-12(7-14(15)17)16(2,3)4;2*1-16(2,3)12-7-8-15(14(17)10-12)19-11-13-6-4-5-9-18-13;1-15(2,3)11-4-5-14(13(16)8-11)19-10-12-9-17-6-7-18-12;;/h6-11H,12H2,1-5H3;2*5-10H,11H2,1-4H3;5-11H,12H2,1-4H3;5-9H,10H2,1-4H3;2*4-10H,11H2,1-3H3;4-9H,10H2,1-3H3;2*1H2
InChIKeyVDCDWKBJHXRPSE-UHFFFAOYSA-N
XLogP34.58
TPSA265.74 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002259.51
LogP ≤ 534.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyrazine;bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyridine);2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyrazine;bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine);2-[(4-tert-butyl-2-methylphenoxy)methyl]-6-methylpyridine;2-[(4-tert-butyl-2-methylphenoxy)methyl]pyridine;dihydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyrazine;bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyridine);2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyrazine;bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine);2-[(4-tert-butyl-2-methylphenoxy)methyl]-6-methylpyridine;2-[(4-tert-butyl-2-methylphenoxy)methyl]pyridine;dihydrate?
The IUPAC name of 2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyrazine;bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyridine);2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyrazine;bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine);2-[(4-tert-butyl-2-methylphenoxy)methyl]-6-methylpyridine;2-[(4-tert-butyl-2-methylphenoxy)methyl]pyridine;dihydrate (CID 158801222) is 2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyrazine;bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyridine);2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyrazine;bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine);2-[(4-tert-butyl-2-methylphenoxy)methyl]-6-methylpyridine;2-[(4-tert-butyl-2-methylphenoxy)methyl]pyridine;dihydrate.
What is the SMILES notation for 2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyrazine;bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyridine);2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyrazine;bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine);2-[(4-tert-butyl-2-methylphenoxy)methyl]-6-methylpyridine;2-[(4-tert-butyl-2-methylphenoxy)methyl]pyridine;dihydrate?
The canonical SMILES for 2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyrazine;bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyridine);2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyrazine;bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine);2-[(4-tert-butyl-2-methylphenoxy)methyl]-6-methylpyridine;2-[(4-tert-butyl-2-methylphenoxy)methyl]pyridine;dihydrate is CC(C)(C)c1ccc(OCc2ccccn2)c(Cl)c1.CC(C)(C)c1ccc(OCc2ccccn2)c(Cl)c1.CC(C)(C)c1ccc(OCc2cnccn2)c(Cl)c1.Cc1cc(C(C)(C)C)ccc1OCc1ccccn1.Cc1cccc(COc2ccc(C(C)(C)C)cc2C)n1.Cc1cccc(COc2ccc(C(C)(C)C)cc2Cl)n1.Cc1cccc(COc2ccc(C(C)(C)C)cc2Cl)n1.Cc1cncc(COc2ccc(C(C)(C)C)cc2Cl)n1.O.O.
What is the InChIKey of 2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyrazine;bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyridine);2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyrazine;bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine);2-[(4-tert-butyl-2-methylphenoxy)methyl]-6-methylpyridine;2-[(4-tert-butyl-2-methylphenoxy)methyl]pyridine;dihydrate?
The InChIKey is VDCDWKBJHXRPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO.2C17H20ClNO.C17H21NO.C16H19ClN2O.2C16H18ClNO.C15H17ClN2O.2H2O/c1-13-11-15(18(3,4)5)9-10-17(13)20-12-16-8-6-7-14(2)19-16;2*1-12-6-5-7-14(19-12)11-20-16-9-8-13(10-15(16)18)17(2,3)4;1-13-11-14(17(2,3)4)8-9-16(13)19-12-15-7-5-6-10-18-15;1-11-8-18-9-13(19-11)10-20-15-6-5-12(7-14(15)17)16(2,3)4;2*1-16(2,3)12-7-8-15(14(17)10-12)19-11-13-6-4-5-9-18-13;1-15(2,3)11-4-5-14(13(16)8-11)19-10-12-9-17-6-7-18-12;;/h6-11H,12H2,1-5H3;2*5-10H,11H2,1-4H3;5-11H,12H2,1-4H3;5-9H,10H2,1-4H3;2*4-10H,11H2,1-3H3;4-9H,10H2,1-3H3;2*1H2.
What are the key properties of 2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyrazine;bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyridine);2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyrazine;bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine);2-[(4-tert-butyl-2-methylphenoxy)methyl]-6-methylpyridine;2-[(4-tert-butyl-2-methylphenoxy)methyl]pyridine;dihydrate?
2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyrazine;bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyridine);2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyrazine;bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine);2-[(4-tert-butyl-2-methylphenoxy)methyl]-6-methylpyridine;2-[(4-tert-butyl-2-methylphenoxy)methyl]pyridine;dihydrate has a molecular weight of 2259.51 g/mol, XLogP of 34.58, 24 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyrazine;bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyridine);2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyrazine;bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine);2-[(4-tert-butyl-2-methylphenoxy)methyl]-6-methylpyridine;2-[(4-tert-butyl-2-methylphenoxy)methyl]pyridine;dihydrate is sourced from PubChem (CID 158801222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).