(2,5-dihydroxy-3,6-dimethoxy-4-methylphenyl) acetate

C11H14O6 — CID 176684182

IUPAC(2,5-dihydroxy-3,6-dimethoxy-4-methylphenyl) acetate
SMILESCOc1c(C)c(O)c(OC)c(OC(C)=O)c1O
InChIInChI=1S/C11H14O6/c1-5-7(13)10(16-4)11(17-6(2)12)8(14)9(5)15-3/h13-14H,1-4H3
InChIKeyXZQVTHQJYNWXEU-UHFFFAOYSA-N
MW242.23 g/mol
LogP1.35
Rot. Bonds3

About (2,5-dihydroxy-3,6-dimethoxy-4-methylphenyl) acetate

(2,5-dihydroxy-3,6-dimethoxy-4-methylphenyl) acetate (PubChem CID 176684182) has the molecular formula C11H14O6 and a molecular weight of 242.23 g/mol. Its IUPAC name is (2,5-dihydroxy-3,6-dimethoxy-4-methylphenyl) acetate.

Molecular Properties

Compound Name(2,5-dihydroxy-3,6-dimethoxy-4-methylphenyl) acetate
PubChem CID176684182
Molecular FormulaC11H14O6
Molecular Weight242.23 g/mol
Exact Mass242.08
IUPAC Name(2,5-dihydroxy-3,6-dimethoxy-4-methylphenyl) acetate
SMILESCOc1c(C)c(O)c(OC)c(OC(C)=O)c1O
InChIInChI=1S/C11H14O6/c1-5-7(13)10(16-4)11(17-6(2)12)8(14)9(5)15-3/h13-14H,1-4H3
InChIKeyXZQVTHQJYNWXEU-UHFFFAOYSA-N
XLogP1.35
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-hydroxy-2-methoxy-3-methylnaphthalen-1-yl) acetate
CID 19873003
2-methoxy-3,5,6-trimethylbenzene-1,4-diol
CID 19817257
2,4,6-trimethoxybenzene-1,3,5-triol
CID 102382483
(2,3,4,5,6-pentamethylphenyl) acetate
CID 12655239
2-methoxy-4,6-dimethylbenzene-1,3,5-triol
CID 86718657
4-methoxy-2,5,6-trimethylbenzene-1,3-diol
CID 154393157
(2,4-dimethoxy-3-methylphenyl) acetate
CID 10899866
(2-acetyl-5-acetyloxy-3,4,6-trimethoxyphenyl) acetate
CID 11759186
bicyclo[2.2.0]hexa-1,3,5-triene;(7-chloro-4-hydroxy-2,3-dimethoxynaphthalen-1-yl) acetate
CID 23038234
(7-cyano-4-hydroxy-2,3-dimethoxynaphthalen-1-yl) acetate
CID 23038504
(4-methoxy-2,6-dimethylphenyl) acetate
CID 11816390
[4-hydroxy-2,3-dimethoxy-6-(1-phenylethoxy)naphthalen-1-yl] acetate
CID 67897809

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxy-3,6-dimethoxy-4-methylphenyl) acetate?
The IUPAC name of (2,5-dihydroxy-3,6-dimethoxy-4-methylphenyl) acetate (CID 176684182) is (2,5-dihydroxy-3,6-dimethoxy-4-methylphenyl) acetate.
What is the SMILES notation for (2,5-dihydroxy-3,6-dimethoxy-4-methylphenyl) acetate?
The canonical SMILES for (2,5-dihydroxy-3,6-dimethoxy-4-methylphenyl) acetate is COc1c(C)c(O)c(OC)c(OC(C)=O)c1O.
What is the InChIKey of (2,5-dihydroxy-3,6-dimethoxy-4-methylphenyl) acetate?
The InChIKey is XZQVTHQJYNWXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O6/c1-5-7(13)10(16-4)11(17-6(2)12)8(14)9(5)15-3/h13-14H,1-4H3.
What are the key properties of (2,5-dihydroxy-3,6-dimethoxy-4-methylphenyl) acetate?
(2,5-dihydroxy-3,6-dimethoxy-4-methylphenyl) acetate has a molecular weight of 242.23 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxy-3,6-dimethoxy-4-methylphenyl) acetate is sourced from PubChem (CID 176684182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).