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

C84H99Cl5N6O7 — CID 161265183

IUPAC2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyrazine;bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyridine);bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine);formaldehyde
SMILESC=O.C=O.CC(C)(C)c1ccc(OCc2ccccn2)c(Cl)c1.CC(C)(C)c1ccc(OCc2ccccn2)c(Cl)c1.Cc1cccc(COc2ccc(C(C)(C)C)cc2Cl)n1.Cc1cccc(COc2ccc(C(C)(C)C)cc2Cl)n1.Cc1cncc(COc2ccc(C(C)(C)C)cc2Cl)n1
InChIInChI=1S/2C17H20ClNO.C16H19ClN2O.2C16H18ClNO.2CH2O/c2*1-12-6-5-7-14(19-12)11-20-16-9-8-13(10-15(16)18)17(2,3)4;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;2*1-2/h2*5-10H,11H2,1-4H3;5-9H,10H2,1-4H3;2*4-10H,11H2,1-3H3;2*1H2
InChIKeyVDBXALGBFAILGK-UHFFFAOYSA-N
MW1482.02 g/mol
LogP23.01
Rot. Bonds15

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

2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyrazine;bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyridine);bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine);formaldehyde (PubChem CID 161265183) has the molecular formula C84H99Cl5N6O7 and a molecular weight of 1482.02 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);bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine);formaldehyde.

Molecular Properties

Compound Name2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyrazine;bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyridine);bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine);formaldehyde
PubChem CID161265183
Molecular FormulaC84H99Cl5N6O7
Molecular Weight1482.02 g/mol
Exact Mass1478.60
IUPAC Name2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyrazine;bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyridine);bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine);formaldehyde
SMILESC=O.C=O.CC(C)(C)c1ccc(OCc2ccccn2)c(Cl)c1.CC(C)(C)c1ccc(OCc2ccccn2)c(Cl)c1.Cc1cccc(COc2ccc(C(C)(C)C)cc2Cl)n1.Cc1cccc(COc2ccc(C(C)(C)C)cc2Cl)n1.Cc1cncc(COc2ccc(C(C)(C)C)cc2Cl)n1
InChIInChI=1S/2C17H20ClNO.C16H19ClN2O.2C16H18ClNO.2CH2O/c2*1-12-6-5-7-14(19-12)11-20-16-9-8-13(10-15(16)18)17(2,3)4;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;2*1-2/h2*5-10H,11H2,1-4H3;5-9H,10H2,1-4H3;2*4-10H,11H2,1-3H3;2*1H2
InChIKeyVDBXALGBFAILGK-UHFFFAOYSA-N
XLogP23.01
TPSA157.63 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001482.02
LogP ≤ 523.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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

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Related Compounds

2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methyl-1-oxidopyridin-1-ium;2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyrazine;2-[(4-tert-butyl-2-chlorophenoxy)methyl]-1-oxidopyridin-1-ium;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyrazine;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
CID 160506764
4-tert-butyl-2-chloro-1-[(3-methylphenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyridine;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-ethynyl-1-fluorobenzene;4-tert-butyl-2-ethynyl-1-[(3-methylphenyl)methoxy]benzene;4-tert-butyl-2-methyl-1-[(3-methylphenyl)methoxy]benzene
CID 162005368
2-[(2-bromo-4-tert-butylphenoxy)methyl]pyridine
CID 170931613
3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]benzaldehyde
CID 79267100
2-[(2-chloro-4-propan-2-ylphenoxy)methyl]-6-methylpyridine
CID 154993538
1-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
CID 79260536
3-chloro-N,N-dimethyl-4-(pyridin-2-ylmethoxy)aniline
CID 130196962
4-tert-butyl-2-chloro-1-[(3-methylphenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;2-[(4-tert-butyl-2-chlorophenoxy)methyl]-1,3-thiazole;4-tert-butyl-2-methyl-1-phenoxybenzene;bis(3-(4-tert-butyl-2-methylphenoxy)-5-methylpyridine);5-(4-tert-butyl-2-methylphenoxy)-2-methylpyridine;2-[(4-tert-butyl-2-methylphenoxy)methyl]-1,3-thiazole
CID 160533550
2-methyl-6-(pyridin-2-ylmethoxy)pyridine
CID 86815736
2-[(2-chloro-4-propan-2-yloxyphenoxy)methyl]pyridine
CID 137421499
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-4-methylbenzenesulfonamide
CID 52782034
2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-6-methylpyridine
CID 79261295

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);bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine);formaldehyde?
The IUPAC name of 2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyrazine;bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyridine);bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine);formaldehyde (CID 161265183) is 2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyrazine;bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyridine);bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine);formaldehyde.
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);bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine);formaldehyde?
The canonical SMILES for 2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyrazine;bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyridine);bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine);formaldehyde is C=O.C=O.CC(C)(C)c1ccc(OCc2ccccn2)c(Cl)c1.CC(C)(C)c1ccc(OCc2ccccn2)c(Cl)c1.Cc1cccc(COc2ccc(C(C)(C)C)cc2Cl)n1.Cc1cccc(COc2ccc(C(C)(C)C)cc2Cl)n1.Cc1cncc(COc2ccc(C(C)(C)C)cc2Cl)n1.
What is the InChIKey of 2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyrazine;bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyridine);bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine);formaldehyde?
The InChIKey is VDBXALGBFAILGK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H20ClNO.C16H19ClN2O.2C16H18ClNO.2CH2O/c2*1-12-6-5-7-14(19-12)11-20-16-9-8-13(10-15(16)18)17(2,3)4;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;2*1-2/h2*5-10H,11H2,1-4H3;5-9H,10H2,1-4H3;2*4-10H,11H2,1-3H3;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);bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine);formaldehyde?
2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyrazine;bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyridine);bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine);formaldehyde has a molecular weight of 1482.02 g/mol, XLogP of 23.01, 15 rotatable bonds, 0 hydrogen bond donors, and 13 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);bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine);formaldehyde is sourced from PubChem (CID 161265183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).