2-methoxy-3,4,5-trimethylphenol

C10H14O2 — CID 18000106

IUPAC2-methoxy-3,4,5-trimethylphenol
SMILESCOc1c(O)cc(C)c(C)c1C
InChIInChI=1S/C10H14O2/c1-6-5-9(11)10(12-4)8(3)7(6)2/h5,11H,1-4H3
InChIKeyXNGRANIQDCWDOC-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.33
Rot. Bonds1

About 2-methoxy-3,4,5-trimethylphenol

2-methoxy-3,4,5-trimethylphenol (PubChem CID 18000106) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-methoxy-3,4,5-trimethylphenol.

Molecular Properties

Compound Name2-methoxy-3,4,5-trimethylphenol
PubChem CID18000106
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name2-methoxy-3,4,5-trimethylphenol
SMILESCOc1c(O)cc(C)c(C)c1C
InChIInChI=1S/C10H14O2/c1-6-5-9(11)10(12-4)8(3)7(6)2/h5,11H,1-4H3
InChIKeyXNGRANIQDCWDOC-UHFFFAOYSA-N
XLogP2.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,4,5-trimethylphenol?
The IUPAC name of 2-methoxy-3,4,5-trimethylphenol (CID 18000106) is 2-methoxy-3,4,5-trimethylphenol.
What is the SMILES notation for 2-methoxy-3,4,5-trimethylphenol?
The canonical SMILES for 2-methoxy-3,4,5-trimethylphenol is COc1c(O)cc(C)c(C)c1C.
What is the InChIKey of 2-methoxy-3,4,5-trimethylphenol?
The InChIKey is XNGRANIQDCWDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-6-5-9(11)10(12-4)8(3)7(6)2/h5,11H,1-4H3.
What are the key properties of 2-methoxy-3,4,5-trimethylphenol?
2-methoxy-3,4,5-trimethylphenol has a molecular weight of 166.22 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,4,5-trimethylphenol is sourced from PubChem (CID 18000106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).