1-[2-ethyl-1-(3-methoxy-4-methylphenyl)hexyl]-2,5-dimethoxy-4-methylbenzene;methoxymethane

C27H42O4 — CID 143920221

IUPAC1-[2-ethyl-1-(3-methoxy-4-methylphenyl)hexyl]-2,5-dimethoxy-4-methylbenzene;methoxymethane
SMILESCCCCC(CC)C(c1ccc(C)c(OC)c1)c1cc(OC)c(C)cc1OC.COC
InChIInChI=1S/C25H36O3.C2H6O/c1-8-10-11-19(9-2)25(20-13-12-17(3)22(15-20)26-5)21-16-23(27-6)18(4)14-24(21)28-7;1-3-2/h12-16,19,25H,8-11H2,1-7H3;1-2H3
InChIKeyTWOPOHAHDCYLFI-UHFFFAOYSA-N
MW430.63 g/mol
LogP6.94
Rot. Bonds10

About 1-[2-ethyl-1-(3-methoxy-4-methylphenyl)hexyl]-2,5-dimethoxy-4-methylbenzene;methoxymethane

1-[2-ethyl-1-(3-methoxy-4-methylphenyl)hexyl]-2,5-dimethoxy-4-methylbenzene;methoxymethane (PubChem CID 143920221) has the molecular formula C27H42O4 and a molecular weight of 430.63 g/mol. Its IUPAC name is 1-[2-ethyl-1-(3-methoxy-4-methylphenyl)hexyl]-2,5-dimethoxy-4-methylbenzene;methoxymethane.

Molecular Properties

Compound Name1-[2-ethyl-1-(3-methoxy-4-methylphenyl)hexyl]-2,5-dimethoxy-4-methylbenzene;methoxymethane
PubChem CID143920221
Molecular FormulaC27H42O4
Molecular Weight430.63 g/mol
Exact Mass430.31
IUPAC Name1-[2-ethyl-1-(3-methoxy-4-methylphenyl)hexyl]-2,5-dimethoxy-4-methylbenzene;methoxymethane
SMILESCCCCC(CC)C(c1ccc(C)c(OC)c1)c1cc(OC)c(C)cc1OC.COC
InChIInChI=1S/C25H36O3.C2H6O/c1-8-10-11-19(9-2)25(20-13-12-17(3)22(15-20)26-5)21-16-23(27-6)18(4)14-24(21)28-7;1-3-2/h12-16,19,25H,8-11H2,1-7H3;1-2H3
InChIKeyTWOPOHAHDCYLFI-UHFFFAOYSA-N
XLogP6.94
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.63
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-ethyl-1-(3-methoxy-4-methylphenyl)hexyl]-2,5-dimethoxy-4-methylbenzene;methoxymethane with MolForge

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Related Compounds

[2-ethyl-1-(4-methoxy-2,5-dimethylphenyl)hexyl]hydrazine
CID 105332979
2-ethyl-1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine
CID 43487417
1-(3-methoxy-4-methylphenyl)decan-1-amine
CID 115831533
1-(3-methoxy-4-methylphenyl)nonylhydrazine
CID 105294336
1-(4,5-dimethoxy-2-methylphenyl)pentan-1-ol
CID 61080758
2-methoxy-1-(3-methoxy-4-methylphenyl)ethanol
CID 115819121
[3-ethyl-1-(3-methoxy-4-methylphenyl)heptyl]hydrazine
CID 105288242
1-(2,5-dimethoxy-4-methylphenyl)propan-1-ol
CID 10703654
1-(3-methoxy-4-methylphenyl)-N-methylheptan-1-amine
CID 115833459
4-[bromo-(4-butylphenyl)methyl]-2-methoxy-1-methylbenzene
CID 63439924
1-butyl-4-methoxy-2,5-dimethylbenzene
CID 142173395
1-(3-methoxy-4-methylphenyl)-N-propyloctan-1-amine
CID 115832136

Frequently Asked Questions

What is the IUPAC name of 1-[2-ethyl-1-(3-methoxy-4-methylphenyl)hexyl]-2,5-dimethoxy-4-methylbenzene;methoxymethane?
The IUPAC name of 1-[2-ethyl-1-(3-methoxy-4-methylphenyl)hexyl]-2,5-dimethoxy-4-methylbenzene;methoxymethane (CID 143920221) is 1-[2-ethyl-1-(3-methoxy-4-methylphenyl)hexyl]-2,5-dimethoxy-4-methylbenzene;methoxymethane.
What is the SMILES notation for 1-[2-ethyl-1-(3-methoxy-4-methylphenyl)hexyl]-2,5-dimethoxy-4-methylbenzene;methoxymethane?
The canonical SMILES for 1-[2-ethyl-1-(3-methoxy-4-methylphenyl)hexyl]-2,5-dimethoxy-4-methylbenzene;methoxymethane is CCCCC(CC)C(c1ccc(C)c(OC)c1)c1cc(OC)c(C)cc1OC.COC.
What is the InChIKey of 1-[2-ethyl-1-(3-methoxy-4-methylphenyl)hexyl]-2,5-dimethoxy-4-methylbenzene;methoxymethane?
The InChIKey is TWOPOHAHDCYLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36O3.C2H6O/c1-8-10-11-19(9-2)25(20-13-12-17(3)22(15-20)26-5)21-16-23(27-6)18(4)14-24(21)28-7;1-3-2/h12-16,19,25H,8-11H2,1-7H3;1-2H3.
What are the key properties of 1-[2-ethyl-1-(3-methoxy-4-methylphenyl)hexyl]-2,5-dimethoxy-4-methylbenzene;methoxymethane?
1-[2-ethyl-1-(3-methoxy-4-methylphenyl)hexyl]-2,5-dimethoxy-4-methylbenzene;methoxymethane has a molecular weight of 430.63 g/mol, XLogP of 6.94, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethyl-1-(3-methoxy-4-methylphenyl)hexyl]-2,5-dimethoxy-4-methylbenzene;methoxymethane is sourced from PubChem (CID 143920221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).