2-methoxy-4,6-dimethylbenzene-1,3,5-triol

C9H12O4 — CID 86718657

IUPAC2-methoxy-4,6-dimethylbenzene-1,3,5-triol
SMILESCOc1c(O)c(C)c(O)c(C)c1O
InChIInChI=1S/C9H12O4/c1-4-6(10)5(2)8(12)9(13-3)7(4)11/h10-12H,1-3H3
InChIKeyAQGQWNQNYDGXFX-UHFFFAOYSA-N
MW184.19 g/mol
LogP1.43
Rot. Bonds1

About 2-methoxy-4,6-dimethylbenzene-1,3,5-triol

2-methoxy-4,6-dimethylbenzene-1,3,5-triol (PubChem CID 86718657) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is 2-methoxy-4,6-dimethylbenzene-1,3,5-triol.

Molecular Properties

Compound Name2-methoxy-4,6-dimethylbenzene-1,3,5-triol
PubChem CID86718657
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name2-methoxy-4,6-dimethylbenzene-1,3,5-triol
SMILESCOc1c(O)c(C)c(O)c(C)c1O
InChIInChI=1S/C9H12O4/c1-4-6(10)5(2)8(12)9(13-3)7(4)11/h10-12H,1-3H3
InChIKeyAQGQWNQNYDGXFX-UHFFFAOYSA-N
XLogP1.43
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2,5,6-trimethylbenzene-1,3-diol
CID 154393157
2-methoxy-3,5,6-trimethylbenzene-1,4-diol
CID 19817257
2,4,6-trimethoxybenzene-1,3,5-triol
CID 102382483
2-tert-butyl-5,6-dimethoxy-3-methylbenzene-1,4-diol
CID 59583902
2-methoxy-3,5-dimethylbenzene-1,4-diol;2-methoxy-3,5,6-trimethylbenzene-1,4-diol
CID 19817256
2,3-dimethoxy-5,6-dimethylphenol
CID 53405608
3-hydroxy-5-methoxy-2,4,6-trimethylbenzoic acid
CID 146683483
2,3-dimethoxy-5-methyl-6-[(E)-prop-1-enyl]benzene-1,4-diol
CID 22966628
2,6-ditert-butyl-4-methoxy-3,5-dimethylphenol
CID 58031358
3-chloro-5-fluoro-2-methoxy-6-methylphenol
CID 84662913
(2,5-dihydroxy-3,6-dimethoxy-4-methylphenyl) acetate
CID 176684182
3,5-dimethoxy-2,6-dimethylphenol
CID 25145990

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,6-dimethylbenzene-1,3,5-triol?
The IUPAC name of 2-methoxy-4,6-dimethylbenzene-1,3,5-triol (CID 86718657) is 2-methoxy-4,6-dimethylbenzene-1,3,5-triol.
What is the SMILES notation for 2-methoxy-4,6-dimethylbenzene-1,3,5-triol?
The canonical SMILES for 2-methoxy-4,6-dimethylbenzene-1,3,5-triol is COc1c(O)c(C)c(O)c(C)c1O.
What is the InChIKey of 2-methoxy-4,6-dimethylbenzene-1,3,5-triol?
The InChIKey is AQGQWNQNYDGXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O4/c1-4-6(10)5(2)8(12)9(13-3)7(4)11/h10-12H,1-3H3.
What are the key properties of 2-methoxy-4,6-dimethylbenzene-1,3,5-triol?
2-methoxy-4,6-dimethylbenzene-1,3,5-triol has a molecular weight of 184.19 g/mol, XLogP of 1.43, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,6-dimethylbenzene-1,3,5-triol is sourced from PubChem (CID 86718657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).