3,6-dimethoxy-2-methylphenol

C9H12O3 — CID 13158257

IUPAC3,6-dimethoxy-2-methylphenol
SMILESCOc1ccc(OC)c(O)c1C
InChIInChI=1S/C9H12O3/c1-6-7(11-2)4-5-8(12-3)9(6)10/h4-5,10H,1-3H3
InChIKeyAYGSNWBJTYYNQI-UHFFFAOYSA-N
MW168.19 g/mol
LogP1.72
Rot. Bonds2

About 3,6-dimethoxy-2-methylphenol

3,6-dimethoxy-2-methylphenol (PubChem CID 13158257) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 3,6-dimethoxy-2-methylphenol.

Molecular Properties

Compound Name3,6-dimethoxy-2-methylphenol
PubChem CID13158257
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name3,6-dimethoxy-2-methylphenol
SMILESCOc1ccc(OC)c(O)c1C
InChIInChI=1S/C9H12O3/c1-6-7(11-2)4-5-8(12-3)9(6)10/h4-5,10H,1-3H3
InChIKeyAYGSNWBJTYYNQI-UHFFFAOYSA-N
XLogP1.72
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethoxy-2,6-dimethylphenol
CID 25145990
6-methoxy-2-methyl-3-nitrophenol
CID 10058181
2-bromo-4-methoxy-3-methylphenol
CID 54571766
6-[4,6-bis(2-hydroxy-4-methoxy-3-methylphenyl)-1,3,5-triazin-2-yl]-2,3-dimethylphenol
CID 137252928
6-(2-amino-2-methylpropyl)-3-methoxy-2-methylphenol
CID 117299283
1-(2-hydroxy-4-methoxy-3-methylphenyl)butan-1-one
CID 13287046
N-(4-methoxy-2,3-dimethylphenyl)propan-2-imine
CID 89091882
6-[4-(2-hydroxy-4-methoxy-3-methylphenyl)-6-(4-methoxy-2,3-dimethylphenyl)-1,3,5-triazin-2-yl]-2,3-dimethylphenol
CID 137252926
3-amino-2-chloro-6-methoxyphenol
CID 45120120
4-amino-6-methoxy-2,3-dimethylphenol
CID 58463229
2,5-dimethoxy-3-methylbenzene-1,4-diol
CID 118620662
methyl 3,6-dimethoxy-2-methylbenzoate
CID 10536412

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethoxy-2-methylphenol?
The IUPAC name of 3,6-dimethoxy-2-methylphenol (CID 13158257) is 3,6-dimethoxy-2-methylphenol.
What is the SMILES notation for 3,6-dimethoxy-2-methylphenol?
The canonical SMILES for 3,6-dimethoxy-2-methylphenol is COc1ccc(OC)c(O)c1C.
What is the InChIKey of 3,6-dimethoxy-2-methylphenol?
The InChIKey is AYGSNWBJTYYNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c1-6-7(11-2)4-5-8(12-3)9(6)10/h4-5,10H,1-3H3.
What are the key properties of 3,6-dimethoxy-2-methylphenol?
3,6-dimethoxy-2-methylphenol has a molecular weight of 168.19 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethoxy-2-methylphenol is sourced from PubChem (CID 13158257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).