3,4-dimethoxy-6-methyl-2-(2-methylpropoxy)phenol

C13H20O4 — CID 86195094

IUPAC3,4-dimethoxy-6-methyl-2-(2-methylpropoxy)phenol
SMILESCOc1cc(C)c(O)c(OCC(C)C)c1OC
InChIInChI=1S/C13H20O4/c1-8(2)7-17-13-11(14)9(3)6-10(15-4)12(13)16-5/h6,8,14H,7H2,1-5H3
InChIKeyUYIKRQPQHMCJRL-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.75
Rot. Bonds5

About 3,4-dimethoxy-6-methyl-2-(2-methylpropoxy)phenol

3,4-dimethoxy-6-methyl-2-(2-methylpropoxy)phenol (PubChem CID 86195094) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3,4-dimethoxy-6-methyl-2-(2-methylpropoxy)phenol.

Molecular Properties

Compound Name3,4-dimethoxy-6-methyl-2-(2-methylpropoxy)phenol
PubChem CID86195094
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name3,4-dimethoxy-6-methyl-2-(2-methylpropoxy)phenol
SMILESCOc1cc(C)c(O)c(OCC(C)C)c1OC
InChIInChI=1S/C13H20O4/c1-8(2)7-17-13-11(14)9(3)6-10(15-4)12(13)16-5/h6,8,14H,7H2,1-5H3
InChIKeyUYIKRQPQHMCJRL-UHFFFAOYSA-N
XLogP2.75
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-6-methyl-2-(2-methylpropoxy)phenol?
The IUPAC name of 3,4-dimethoxy-6-methyl-2-(2-methylpropoxy)phenol (CID 86195094) is 3,4-dimethoxy-6-methyl-2-(2-methylpropoxy)phenol.
What is the SMILES notation for 3,4-dimethoxy-6-methyl-2-(2-methylpropoxy)phenol?
The canonical SMILES for 3,4-dimethoxy-6-methyl-2-(2-methylpropoxy)phenol is COc1cc(C)c(O)c(OCC(C)C)c1OC.
What is the InChIKey of 3,4-dimethoxy-6-methyl-2-(2-methylpropoxy)phenol?
The InChIKey is UYIKRQPQHMCJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c1-8(2)7-17-13-11(14)9(3)6-10(15-4)12(13)16-5/h6,8,14H,7H2,1-5H3.
What are the key properties of 3,4-dimethoxy-6-methyl-2-(2-methylpropoxy)phenol?
3,4-dimethoxy-6-methyl-2-(2-methylpropoxy)phenol has a molecular weight of 240.30 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-6-methyl-2-(2-methylpropoxy)phenol is sourced from PubChem (CID 86195094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).