1-[(2,5-dimethoxy-3,4,6-trimethylphenyl)methyl]-2,5-dimethoxy-3,4,6-trimethylbenzene

C23H32O4 — CID 10523333

IUPAC1-[(2,5-dimethoxy-3,4,6-trimethylphenyl)methyl]-2,5-dimethoxy-3,4,6-trimethylbenzene
SMILESCOc1c(C)c(C)c(OC)c(Cc2c(C)c(OC)c(C)c(C)c2OC)c1C
InChIInChI=1S/C23H32O4/c1-12-14(3)22(26-9)18(16(5)20(12)24-7)11-19-17(6)21(25-8)13(2)15(4)23(19)27-10/h11H2,1-10H3
InChIKeyQUWMYGDNADZXCL-UHFFFAOYSA-N
MW372.51 g/mol
LogP5.16
Rot. Bonds6

About 1-[(2,5-dimethoxy-3,4,6-trimethylphenyl)methyl]-2,5-dimethoxy-3,4,6-trimethylbenzene

1-[(2,5-dimethoxy-3,4,6-trimethylphenyl)methyl]-2,5-dimethoxy-3,4,6-trimethylbenzene (PubChem CID 10523333) has the molecular formula C23H32O4 and a molecular weight of 372.51 g/mol. Its IUPAC name is 1-[(2,5-dimethoxy-3,4,6-trimethylphenyl)methyl]-2,5-dimethoxy-3,4,6-trimethylbenzene.

Molecular Properties

Compound Name1-[(2,5-dimethoxy-3,4,6-trimethylphenyl)methyl]-2,5-dimethoxy-3,4,6-trimethylbenzene
PubChem CID10523333
Molecular FormulaC23H32O4
Molecular Weight372.51 g/mol
Exact Mass372.23
IUPAC Name1-[(2,5-dimethoxy-3,4,6-trimethylphenyl)methyl]-2,5-dimethoxy-3,4,6-trimethylbenzene
SMILESCOc1c(C)c(C)c(OC)c(Cc2c(C)c(OC)c(C)c(C)c2OC)c1C
InChIInChI=1S/C23H32O4/c1-12-14(3)22(26-9)18(16(5)20(12)24-7)11-19-17(6)21(25-8)13(2)15(4)23(19)27-10/h11H2,1-10H3
InChIKeyQUWMYGDNADZXCL-UHFFFAOYSA-N
XLogP5.16
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethoxy-3,4,6-trimethylphenyl)methyl]-2,5-dimethoxy-3,4,6-trimethylbenzene?
The IUPAC name of 1-[(2,5-dimethoxy-3,4,6-trimethylphenyl)methyl]-2,5-dimethoxy-3,4,6-trimethylbenzene (CID 10523333) is 1-[(2,5-dimethoxy-3,4,6-trimethylphenyl)methyl]-2,5-dimethoxy-3,4,6-trimethylbenzene.
What is the SMILES notation for 1-[(2,5-dimethoxy-3,4,6-trimethylphenyl)methyl]-2,5-dimethoxy-3,4,6-trimethylbenzene?
The canonical SMILES for 1-[(2,5-dimethoxy-3,4,6-trimethylphenyl)methyl]-2,5-dimethoxy-3,4,6-trimethylbenzene is COc1c(C)c(C)c(OC)c(Cc2c(C)c(OC)c(C)c(C)c2OC)c1C.
What is the InChIKey of 1-[(2,5-dimethoxy-3,4,6-trimethylphenyl)methyl]-2,5-dimethoxy-3,4,6-trimethylbenzene?
The InChIKey is QUWMYGDNADZXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O4/c1-12-14(3)22(26-9)18(16(5)20(12)24-7)11-19-17(6)21(25-8)13(2)15(4)23(19)27-10/h11H2,1-10H3.
What are the key properties of 1-[(2,5-dimethoxy-3,4,6-trimethylphenyl)methyl]-2,5-dimethoxy-3,4,6-trimethylbenzene?
1-[(2,5-dimethoxy-3,4,6-trimethylphenyl)methyl]-2,5-dimethoxy-3,4,6-trimethylbenzene has a molecular weight of 372.51 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethoxy-3,4,6-trimethylphenyl)methyl]-2,5-dimethoxy-3,4,6-trimethylbenzene is sourced from PubChem (CID 10523333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).