3,4-dimethoxyphenol

C8H10O3 — CID 16251

IUPAC3,4-dimethoxyphenol
SMILESCOc1ccc(O)cc1OC
InChIInChI=1S/C8H10O3/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5,9H,1-2H3
InChIKeySMFFZOQLHYIRDA-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.41
Rot. Bonds2

About 3,4-dimethoxyphenol

3,4-dimethoxyphenol (PubChem CID 16251) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 3,4-dimethoxyphenol.

Molecular Properties

Compound Name3,4-dimethoxyphenol
PubChem CID16251
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name3,4-dimethoxyphenol
SMILESCOc1ccc(O)cc1OC
InChIInChI=1S/C8H10O3/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5,9H,1-2H3
InChIKeySMFFZOQLHYIRDA-UHFFFAOYSA-N
XLogP1.41
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxyphenol?
The IUPAC name of 3,4-dimethoxyphenol (CID 16251) is 3,4-dimethoxyphenol.
What is the SMILES notation for 3,4-dimethoxyphenol?
The canonical SMILES for 3,4-dimethoxyphenol is COc1ccc(O)cc1OC.
What is the InChIKey of 3,4-dimethoxyphenol?
The InChIKey is SMFFZOQLHYIRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5,9H,1-2H3.
What are the key properties of 3,4-dimethoxyphenol?
3,4-dimethoxyphenol has a molecular weight of 154.16 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxyphenol is sourced from PubChem (CID 16251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).