1,4-dimethoxy-2-(methoxymethyl)-3,5,6-trimethylbenzene

C13H20O3 — CID 14923768

IUPAC1,4-dimethoxy-2-(methoxymethyl)-3,5,6-trimethylbenzene
SMILESCOCc1c(C)c(OC)c(C)c(C)c1OC
InChIInChI=1S/C13H20O3/c1-8-9(2)13(16-6)11(7-14-4)10(3)12(8)15-5/h7H2,1-6H3
InChIKeyVYSYBCPXUBRQOI-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.78
Rot. Bonds4

About 1,4-dimethoxy-2-(methoxymethyl)-3,5,6-trimethylbenzene

1,4-dimethoxy-2-(methoxymethyl)-3,5,6-trimethylbenzene (PubChem CID 14923768) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1,4-dimethoxy-2-(methoxymethyl)-3,5,6-trimethylbenzene.

Molecular Properties

Compound Name1,4-dimethoxy-2-(methoxymethyl)-3,5,6-trimethylbenzene
PubChem CID14923768
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name1,4-dimethoxy-2-(methoxymethyl)-3,5,6-trimethylbenzene
SMILESCOCc1c(C)c(OC)c(C)c(C)c1OC
InChIInChI=1S/C13H20O3/c1-8-9(2)13(16-6)11(7-14-4)10(3)12(8)15-5/h7H2,1-6H3
InChIKeyVYSYBCPXUBRQOI-UHFFFAOYSA-N
XLogP2.78
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Hthq
CID 119193
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CID 6427071
2,3,5-Trimethylanisole
CID 88555
3-Methoxy-1,2,4,5-tetramethylbenzene
CID 278664
Benzene, 1,4-dimethoxy-2,3-dimethyl-
CID 148299
2,5,7,8-Tetramethyl-6-hydroxy-2-(hydroxyethyl)chroman
CID 11807084
1,4-Dimethoxy-2-methyl-5-(prop-1-en-2-yl)benzene
CID 14485987
alpha-Tocopherol methyl ether
CID 182085
1,4-Dimethoxy-2,3,5,6-tetramethylbenzene
CID 601765
4-Methoxy-2,3,6-trimethylphenol
CID 297360
2-Methoxy-1,3,4-trimethylbenzene
CID 591604

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethoxy-2-(methoxymethyl)-3,5,6-trimethylbenzene?
The IUPAC name of 1,4-dimethoxy-2-(methoxymethyl)-3,5,6-trimethylbenzene (CID 14923768) is 1,4-dimethoxy-2-(methoxymethyl)-3,5,6-trimethylbenzene.
What is the SMILES notation for 1,4-dimethoxy-2-(methoxymethyl)-3,5,6-trimethylbenzene?
The canonical SMILES for 1,4-dimethoxy-2-(methoxymethyl)-3,5,6-trimethylbenzene is COCc1c(C)c(OC)c(C)c(C)c1OC.
What is the InChIKey of 1,4-dimethoxy-2-(methoxymethyl)-3,5,6-trimethylbenzene?
The InChIKey is VYSYBCPXUBRQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-8-9(2)13(16-6)11(7-14-4)10(3)12(8)15-5/h7H2,1-6H3.
What are the key properties of 1,4-dimethoxy-2-(methoxymethyl)-3,5,6-trimethylbenzene?
1,4-dimethoxy-2-(methoxymethyl)-3,5,6-trimethylbenzene has a molecular weight of 224.30 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethoxy-2-(methoxymethyl)-3,5,6-trimethylbenzene is sourced from PubChem (CID 14923768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).